bluuebunny/crossref_metadata_2025_split huggingface dataset:
Frontier Molecular Orbital Engineering: Constructing Highly Efficient Narrowband Organic Electroluminescent Materials
Authors: Xu Yincai , Wang Qingyang , Cai Xinliang , Li Chenglong , Jiang Shimei , Wang Yue 
Published: September 2023

AbstractIt is of great strategic significance to develop highly efficient narrowband organic electroluminescent materials that can be utilized to manufacture ultra‐high‐definition (UHD) displays and meet or approach the requirements of Broadcast Television 2020 (B.T.2020) color gamut standards. This motif poses challenges for molecular design and synthesis, especially for developing generality, diversity, scalability, and robustness of molecular structures. The emergence of multiple resonance thermally activated delayed fluorescence (MR‐TADF) emitters has ingeniously solved the problems and demonstrated bright application prospects in the field of UHD displays, sparking a research boom. This Minireview summarizes the research endeavors of narrowband organic electroluminescent materials, with emphasis on the tremendous contribution of frontier molecular orbital engineering (FMOE) strategy. It combines the outstanding advantages of MR framework and donor‐acceptor (D−A) structure, and can achieve red‐shift and narrowband emission simultaneously, which is of great significance in the development of long‐wavelength narrowband emitters with emission maxima especially exceeding 500 nm. We hope that this Minireview would provide some inspiration for what could transpire in the future.
A High Pressure Operando Spectroscopy Examination of Bimetal Interactions in ‘Metal Efficient’ Palladium/In2O3/Al2O3 Catalysts for CO2 Hydrogenation
Authors: Potter Matthew E. , Mediavilla Madrigal Sofia , Campbell Emma , Allen Lisa J. , Vyas Urvashi , Parry Stephen , García‐Zaragova Adrián , Martínez‐Prieto Luis M. , Oña‐Burgos Pascual , Lützen Mads , Damsgaard Christian D. , Rodríguez‐Castellón Enrique , Schiaroli Nicola , Fornasari Giuseppe , Benito Patricia , Beale Andrew M. 
Published: September 2023

AbstractCO2 hydrogenation to methanol has the potential to serve as a sustainable route to a wide variety of hydrocarbons, fuels and plastics in the quest for net zero. Synergistic Pd/In2O3 (Palldium on Indium Oxide) catalysts show high CO2 conversion and methanol selectivity, enhancing methanol yield. The identity of the optimal active site for this reaction is unclear, either as a Pd−In alloy, proximate metals, or distinct sites. In this work, we demonstrate that metal‐efficient Pd/In2O3 species dispersed on Al2O3 can match the performance of pure Pd/In2O3 systems. Further, we follow the evolution of both Pd and In sites, and surface species, under operando reaction conditions using X‐ray Absorption Spectroscpy (XAS) and infrared (IR) spectroscopy. In doing so, we can determine both the nature of the active sites and the influence on the catalytic mechanism.
Hydrothermal and microwave‐assisted synthesis of levulinic acid from watermelon residue
Authors: Bazoti Suzana F. , Camargo Aline Frumi , Bonatto Charline , Kubeneck Simone , Treichel Helen , de Oliveira Débora 
Published: September 2023

AbstractLevulinic acid (LA) is considered a versatile chemical building block and has emerged as one of the leading platforms for products derived from biomass. It is regarded as important from an economic perspective. The main route of synthesis to obtain LA is from the degradation of cellulose by acid catalysis, with lignocellulosic biomass being a promising and sustainable way to obtain it. In this study, for the first time, the use of watermelon residues was proposed for the synthesis of levulinic acid, adding value to a residual biomass that has still been little explored for this purpose.Watermelon residues were subjected to acid hydrolysis using H2SO4 or HCl. Two reactors were analyzed for this purpose – autoclave and microwave assisted. The experiments were optimized through a central composite design, where temperature, biomass load, and acid concentration in the microwave were evaluated as variables. In the autoclave, the variables investigated were catalyst concentration and biomass loading.The highest yields, 14.8% and 17% by weight, were obtained with solid fraction (SF) in micro wave (MW). In the best condition obtained in the central composite design, the liquid fraction (LF) and SF were analyzed. It was observed that a clean product, containing only levulinic acid and formic acid, was in the liquid fraction. The MW was more efficient and is a promising alternative for reactions requiring energy. This study contributes to an energy‐saving strategy, using waste and low‐cost catalysts, sustainably contributing to a circular carbon economy based on agricultural waste.
A state‐of‐the‐science review of analytical methods for urinary dialkylphosphate metabolites in the assessment of exposure to organophosphate pesticides: From 2000 to 2022
Authors: Neves Ana Paula , Rosa Ana Cristina Simões , Larentis Ariane Leites , da Silva Rodrigues Vidal Priscila Jeronimo , Gonçalves Eline Simões , Geraldino Barbara Rodrigues , da Silveira Gabriel Rodrigues , de Carvalho Leandro Vargas Barreto , Alves Sergio Rabello 
Published: September 2023

AbstractThe general population and workers are exposed to organophosphate insecticides, one of the leading chemical classes of pesticides used in rural and urban areas. This paper aims to conduct an integrative review of the most used analytical methods for identifying and quantifying dialkylphosphate—which are metabolites of organophosphate insecticides—in the urine of exposed workers, discussing their advantages, limitations and applicability. Searches utilized the PubMed, the Scientific Electronic Library Online and the Brazilian Digital Library of Theses and Dissertations databases between 2000 and 2021. Twenty‐five studies were selected. The extraction methods most used were liquid–liquid extraction (LLE) (36%) and solid‐phase extraction (SPE) (36%), with the SPE being more economical in terms of time and amount of solvents needed, and presenting the best percentage of recovery of analytes, when compared with LLE. Nineteen studies (76%) used the gas chromatography method of separation, and among these, 12 records (63%) indicated mass spectrometry used as a detection technology (analyzer). Studies demonstrate that dialkylphosphates are sensitive and representative exposure biomarkers for environmental and occupational organophosphate exposure.
Discrimination of ground‐glass nodular lung adenocarcinoma pathological subtypes via transfer learning: A multicenter study
Authors: Fu Chun‐Long , Yang Ze‐Bin , Li Ping , Shan Kang‐Fei , Wu Mei‐Kang , Xu Jie‐Ping , Ma Chi‐Jun , Luo Fang‐Hong , Zhou Long , Sun Ji‐Hong , Zhao Fen‐Hua 
Published: September 2023

AbstractBackgroundThe surgical approach and prognosis for invasive adenocarcinoma (IAC) and minimally invasive adenocarcinoma (MIA) of the lung differ. However, they both manifest as identical ground‐glass nodules (GGNs) in computed tomography images, and no effective method exists to discriminate them.MethodsWe developed and validated a three‐dimensional (3D) deep transfer learning model to discriminate IAC from MIA based on CT images of GGNs. This model uses a 3D medical image pre‐training model (MedicalNet) and a fusion model to build a classification network. Transfer learning was utilized for end‐to‐end predictive modeling of the cohort data of the first center, and the cohort data of the other two centers were used as independent external validation data. This study included 999 lung GGN images of 921 patients pathologically diagnosed with IAC or MIA at three cohort centers.ResultsThe predictive performance of the model was assessed using the area under the receiver operating characteristic curve (AUC). The model had high diagnostic efficacy for the training and validation groups (accuracy: 89%, sensitivity: 95%, specificity: 84%, and AUC: 95% in the training group; accuracy: 88%, sensitivity: 84%, specificity: 93%, and AUC: 92% in the internal validation group; accuracy: 83%, sensitivity: 83%, specificity: 83%, and AUC: 89% in one external validation group; accuracy: 78%, sensitivity: 80%, specificity: 77%, and AUC: 82% in the other external validation group).ConclusionsOur 3D deep transfer learning model provides a noninvasive, low‐cost, rapid, and reproducible method for preoperative prediction of IAC and MIA in lung cancer patients with GGNs. It can help clinicians to choose the optimal surgical strategy and improve the prognosis of patients.
Real‐world experience of tyrosine kinase inhibitors in children, adolescents and adults with relapsed or refractory bone tumours: A Canadian Sarcoma Research and Clinical Collaboration (CanSaRCC) study
Authors: Peretz Soroka Hagit , Vora Tushar , Noujaim Jonathan , Marcoux Nicolas , Cohen‐Gogo Sarah , Alcindor Thierry , Holloway Caroline , Rodrigues Caroline , Karachiwala Hatim , Alvi Saima , Lee Ursula , Cheng Sylvia , Banerji Shantanu , Oberoi Sapna , Feng Xiaolan , Smrke Alannah , Simmons Christine , Razak Albiruni Abdul , Gupta Abha A. 
Published: September 2023

AbstractObjectivesWe conducted a retrospective multi‐centre study to assess the real‐world outcome of regorafenib (REGO) and cabozantinib (CABO) in recurrent/refractory bone tumours (BTs) including osteosarcoma (OST), Ewing sarcoma (EWS) and chondrosarcoma (CS)/extra‐skeletal mesenchymal CS (ESMC).MethodsAfter regulatory approval, data from patients with recurrent BT (11 institutions) were extracted from CanSaRCC (Canadian Sarcoma Research and Clinical Collaboration) database. Patient characteristics, treatment and outcomes were collected. Progression‐free survival (PFS) and overall survival (OS) were estimated using the Kaplan–Meier method.ResultsFrom July 2018 to May 2022, 66 patients received REGO or CABO; 39 OST, 18 EWS, 4 CS and 5 ESMC. Median age was 27.8 years (range 12–76); median starting dose was 60 mg for CABO (n = 37, range 40–60) and 120 mg for REGO (n = 29, range 40–160). Twenty‐eight (42.4%) patients required dose reduction: hand‐foot syndrome 7 (10.6%), nausea/vomiting 1 (1.5%), diarrhoea 1 (1.5%), 2 elevated LFTs (3%), elevated bilirubin 1 (1.5%) and mucositis 1 (1.5%). The median OS for patients with OST, EWS, CS and ESMC was 8.5 months (n = 39, 95% CI 7–13.1); 13.4 months (n = 18, 95% CI 3.4–27.2), 8.1 (n = 4, 95% CI 4.1–9.3) and 18.2 (n = 5, 95% CI (10.4–na), respectively. Median PFS for OST, EWS, CS and ECMS was 3.5 (n = 39, 95% CI 2.8–5), 3.9 (n = 18, 95% CI 2.1–5.9), 5.53 (n = 4. 95% CI 2.13–NA) and 11.4 (n = 5, 95% CI 1.83–14.7), respectively. Age, line of therapy, REGO versus CABO, or time from diagnosis to initiation of TKI were not associated with PFS on univariable analysis.ConclusionOur real‐world data show that TKIs have meaningful activity in recurrent BT with acceptable toxicities when started at modified dosing. Inclusion of TKIs in earlier lines of treatment and/or maintenance therapy could be questions for future research.
The efficacy and safety of chemo‐free therapy in epidermal growth factor receptor tyrosine kinase inhibitor‐resistant advanced non‐small cell lung cancer: A single‐arm, phase II study
Authors: Zhang Shuyang , Yang Lu , Yang Yaning , Yang Guangjian , Xu Haiyan , Niu Xueliang , Wang Yan 
Published: September 2023

AbstractObjectivesThe purpose of this study was to explore the efficacy and safety of toripalimab combined with anlotinib in patients with advanced non‐small cell lung cancer (NSCLC) who acquired resistance to epidermal growth factor receptor tyrosine kinase inhibitors (EGFR‐TKIs).Materials and MethodsPatients who developed resistance after using first‐ or second‐generation EGFR‐TKIs as their first‐line regimen without EGFR T790M mutation or had disease progression after being treated with third‐generation EGFR‐TKIs as first‐ or second‐line therapy were enrolled. All patients received toripalimab (240 mg/day on Day 1, intravenously) combined with anlotinib (12 mg/day, Days 1–14, orally) once every 3 weeks. Treatment continued until disease progression, or if toxicity was intolerable. The primary endpoint was the objective response rate (ORR) assessed by the investigator. The secondary endpoint was the progression‐free survival (PFS).ResultsIn total, 19 patients were enrolled between May 2020 and October 2021.The ORR was 0%, and a median PFS was 2.1 months (95% CI 0.251–3.949). Grade ≥3 treatment‐related adverse events (AEs) occurred in 11% patients. Common adverse events included hypothyroidism (12/19), fatigue (9/19), and hypertension (8/19). Patients in stable disease (SD) group had lower abundance of EGFR mutation allele frequency (AF) before enrollment than those in progressive disease (PD) group (p = 0.031). Patients without detectable EGFR mutation (EGFR−) had longer PFS compared to the ones with EGFR mutations (p = 0.059). Patients with high levels of soluble programmed cell death ligand 1 (PD‐L1) at baseline also tended to have longer PFS (p = 0.160).ConclusionToripalimab combined with anlotinib was tolerable in EGFR‐TKI‐resistant advanced NSCLC patients not previously treated with chemotherapy. Patients without detectable EGFR mutation and high soluble PD‐L1 levels may benefit from this chemotherapy‐free treatment.
Analysis on the risk of myasthenia gravis related to immune checkpoint inhibitors based on the US FDA Adverse Event Reporting System
Authors: Kong Qingli , Wang Hui , Ren Xiaolei , Zhuo Yue , Peng Jing 
Published: September 2023

AbstractObjectiveTo evaluate the risk of myasthenia gravis (MG) associated with immune checkpoint inhibitors (ICI).MethodsAdverse event (AE) reports related to MG, myasthenic syndrome, and MG crisis for durvalumab, atezolizumab, pembrolizumab, nivolumab, avelumab, and ipilimumab in the US FDA Adverse Event Reporting System (FAERS) from Q1 2004 to Q3 2022 were collected. The proportional reporting odds ratio (PRR) method was used to evaluate the correlation between the six drugs and the three AEs. Statistical significance was defined as having reports ≥3, PRR ≥ 2, and chi‐square (χ2) ≥ 4.ResultsA total of 36, 78, 276, 380, 5, and 53 AE reports were collected for durvalumab, atezolizumab, pembrolizumab, nivolumab, avelumab, and ipilimumab, respectively. For myasthenic syndrome, the PRR values reflecting the correlation with the drugs were 27.83 (χ2 = 102.66), 26.20 (χ2 = 235.67), 44.17 (χ2 = 1313.98), 32.09 (χ2 = 1229.54), 21.31 (χ2 = 151.15), and 0 for durvalumab, atezolizumab, pembrolizumab, nivolumab, avelumab, and ipilimumab, respectively. For MG, the PRR values reflecting the correlation with the drugs were 24.21 (χ2 = 682.04), 18.34 (χ2 = 900.27), 39.32 (χ2 = 7945.15), 26.93 (χ2 = 6636.45), 14.73 (χ2 = 566.47), and 15.69 (χ2 = 54.77) for durvalumab, atezolizumab, pembrolizumab, nivolumab, avelumab, and ipilimumab, respectively. For MG crisis, there were no data for durvalumab, atezolizumab, avelumab, and ipilimumab; the PRR values reflecting the correlation with the drugs were 16.54 (χ2 = 225.23) and 9.20 (χ2 = 119.14) for pembrolizumab and nivolumab, respectively. All six drugs were statistically correlated with their corresponding AEs.ConclusionsICI may lead to ICIs‐associated MG during therapy. Analysis of FAERS data identified signals for AEs of MG with ICI regimens. Practitioners should consider the factors that may increase the likelihood of MG. The findings support a continued surveillance and risk factor identification.
Operating microscope‐assisted reconstructive strategy for peri‐implantitis: A case series report
Authors: Chiang Yi‐Chen , Sirinirund Benyapha , Rodriguez Amanda , Velasquez Diego , Chan Hsun‐Liang 
Published: September 2023

AbstractBackgroundTreating peri‐implantitis with reconstructive means has been largely unpredictable due to access limitations for surface decontamination, unfavorable bony topography, difficulty in achieving wound stability, and inferior soft tissue qualities. A microsurgical approach with the use of the operating microscope (OM) that provides adjustable higher magnification (∼5–30 times) and coaxial illumination, coupled with the use of microsurgical instruments, may overcome, or alleviate some of the abovementioned obstacles, resulting in more predictable outcomes.MethodsThree patients received reconstructive therapy for correcting peri‐implant defects under OM in private practice settings. After precise incisions to preserve soft tissue volume, the flaps were dissected prudently from underlying granulomatous tissues, which were subsequently removed, followed by controlled flap releasing under ∼10–15x magnification. Surface decontamination was performed using a piezoelectric ultrasonic device, air polishing, and hand instruments at ∼30x magnification. The biomaterial selections were dehydrated human de‐epithelialized amnion‐chorion membrane with mineralized allograft particulates in two cases and xenografts in one case, based on the surgeons’ preference. Wound closure followed the non‐submerged approach.ResultsThese cases demonstrated uneventful soft tissue healing, favorable radiographic bone fill, and disease resolution with follow‐ups ranging from 2 to 4 years.ConclusionsPreliminary data suggest encouraging outcomes after the microsurgical approach following biological as well as biomechanical principles for peri‐implant defect reconstruction.
Can manipulating control‐display ratio dynamically really work in changing pseudo‐haptic weight?
Authors: Chen Yonghua , Yang Xubo 
Published: September 2023

AbstractDue to the limited hardware available in virtual reality, such as VR controllers or simple motion capture devices, users will need more tactile feedback, like the weight of virtual objects. Pseudo‐tactile feedback, such as the control display (C/D) ratio manipulation method, is considered a standard method to simulate weight perception. In past studies, this method was basically used in a static environment, and the C/D ratio was usually determined initially. Can this method still work if the C/D ratio changes in dynamic usage scenarios? In a series of experiments, we tried to answer this question. We proved that the dynamic change of C/D ratio could simulate the weight change and improve the sense of embodiment through another hand redirection method.
Combining Ligand Deuteration with Ligand Bulkiness in Non‐Heme Iron Oxidation Catalysis: Enhancing Catalyst Lifetime and Site‐Selectivity
Authors: Li Fanshi , Meijer Isabelle , Kniestedt Bauke , Lutz Martin , Broere Daniël L. J. , Klein Gebbink Robertus J. M. 
Published: September 2023

AbstractBulky tri‐isopropyl silyl (TIPS) substituents and deuterium atoms in the ligand design have been shown to enhance the site‐selective oxidation of aliphatic C−H bonds and the epoxidation of C=C bonds in non‐heme iron oxidation catalysis. In this work, a series of non‐heme iron complexes were developed by combining TIPS groups and deuterium atoms in the ligand. These bulky deuterated complexes show a significant increase in catalytic performance compared to their counterparts containing only TIPS groups or deuterium atoms. A broad range of substrates was oxidized with excellent yields, particularly, using [Fe(OTf)2((S,S)‐TIPSBPBP‐D4)] (1‐TIPS‐D4) (0.1 mol % to 1 mol %) via a fast or slow oxidant addition protocol, resulting in an overall improvement in catalytic performance. Notably, in the oxidation of the complex substrate trans‐androsterone acetate, the use of a slow addition protocol and a lower catalyst loading of 1‐TIPS‐D4 resulted in significant increases in reaction efficiency. In addition, kinetic and catalytic studies showed that deuteration does not affect the catalytic activity and the secondary C−H site‐selectivity but increases the catalysts’ lifetime resulting in higher conversion/yield. Accordingly, the yield of selectively oxidized secondary C−H products also increases with the overall yield by using the bulky deuterated iron complexes as catalysts. These catalytic improvements of the bulky deuterated complexes exemplify the enhanced design of ligands for homogeneous oxidation catalysis.
Soil sampling depth effect on critical soil test values of phosphorus for conservation agriculture
Authors: Tiecher Tales , Gatiboni Luke , Osmond Deanna , Hardy David 
Published: September 2023

AbstractThe critical soil test value (CSTV) of phosphorus (P) is the threshold where it is possible to obtain 95–100% of the maximum crop yield. Although the P buildup in the topsoil of conservation tillage may affect this threshold, the effect of soil sampling depth on CSTV value has not been determined for conservation tillage in the southern United States. The objective of this study was to evaluate CSTV of P using different soil layers from two long‐term experiments managed under varying P rates, planted to corn (Zea mays L.)/soybean [Glycine max (L.) Merr.] rotation under minimum tillage (Tidewater) or no‐tillage (Piedmont) in North Carolina. Soil samples were taken from depths of 0–2, 2–4, 4–8, and 8–12 inches. The CSTV for different soil layers was calculated using a quadratic‐plateau model with Mehlich‐3 P and relative yield of soybean and corn (2021–2022). The CSTV decreased as the soil sampling depth increased. The CSTV of P at the Tidewater site was 128, 111, 86, and 74 lb ac−1, and at the Piedmont site was 28, 20, 16, and 15 lb ac−1 for the 0–2, 0–4, 0–8, and 0–12 inches soil layers, respectively. Using multiple sampling layers or deeper layers did not improve the quality of CSTV measurement. The current sampling depths used in North Carolina are appropriate for minimum tillage (0–8 inches) and no tillage (0–4 inches), as similar quality models were obtained using either soil layers in both sites. However, it is important to be cautious when changing the sampling depth, as this affects the CSTV value.
Dyads and Triads of Boron Difluoride Formazanate and Boron Difluoride Dipyrromethene Dyes
Authors: Buguis Francis L. , Hsu Nathan Sung Y. , Sirohey Sofia A. , Adam Matheus C. , Goncharova Lyudmila V. , Gilroy Joe B. 
Published: September 2023

AbstractDye‐dye conjugates have attracted significant interest for their utility in applications such as bioimaging, theranostics, and light‐harvesting. Many classes of organic dyes have been employed in this regard; however, building blocks don't typically extend beyond small chromophores. This can lead to minor changes to the optoelectronic properties of the original dye. The exploration of dye–dye structures is impeded by long synthetic routes, incompatible synthetic conditions, or a mismatch of the desired properties. Here, we present the first‐of‐their‐kind dye‐dye conjugates of boron difluoride complexes of formazanate and dipyrromethene ligands. These conjugates exhibit dual photoluminescence bands that reach the near‐infrared spectral region and implicate anti‐Kasha processes. Cyclic voltammetry experiments revealed the generation of polyanionic species that can reversibly tolerate the uptake of up to 6 electrons. Ultimately, we demonstrate that BF2 formazanates can serve as a synthetically accessible platform to build upon new classes of dye‐dye conjugates.