bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ionic Lignin Polymers for Controlled CO2 Capture, Release, and Conversion into High‐Value Chemicals
Authors: Ghorai Arijit , Chung Hoyong 
Published: July 2024

AbstractIn this study, an innovative and cost‐effective ionic polymer for CO2 capture and utilization for the first time, using abundant and nonfood‐based biomass lignin is reported. The modified ionic polymer synthesizes through the reaction of glycidyltrimethylammonium chloride with lignin under alkaline conditions to yield quaternary ammonium ionic functionality. Subsequently, the hydroxide‐based pure ionic lignin polymer is employed for CO2 capture from both direct air and concentrated CO2 sources at room temperature and atmospheric pressure. Structural characterization of the polymers is accomplished through 1H, 13C, and 2D‐heteronuclear single quantum coherence (HSQC) NMR, and FT‐IR spectroscopy. The CO2 capture process is established through the formation of bicarbonate ions alongside the presence of CO2. The captured CO2 is precisely quantified by using inverse‐gated proton decoupled 13C NMR with an internal standard (trioxane). Remarkably, the captured‐CO2 amounts of ionic lignin polymer are 1.06 mmol g−1 (47 mg g−1) from concentrated‐CO2 source and 0.60 mmol g−1 (26 mg g−1) from direct‐air. The captured‐CO2 in ionic lignin polymer is released in controlled manner and utilized in the synthesis of cyclic carbonate, showcasing the productive application of the captured carbon. Moreover, the fully controlled recovering of ionic lignin polymer achieves via repeated CO2 release ↔ CO2 capture.
Transanal minimally invasive proctectomy for ulcerative colitis is beneficial in terms of short‐term outcomes and defecation function
Authors: Hanaoka Marie , Kinugasa Yusuke , Yao Kenta , Takaoka Ayumi , Sasaki Megumi , Yamauchi Shinichi , Tokunaga Masanori 
Published: July 2024

AbstractObjectiveDespite being reported safety, the advantages of transanal minimally invasive proctocolectomy (TAMIP) are controversial, and comparative studies on postoperative defecation function between ileal pouch‐anal anastomosis (IPAA) using laparoscopic transanal manipulation (TAMIP‐IPAA) and without this technique (traditional IPAA) are lacking. This study analyzed TAMIP's impact on short‐term and postoperative defecation function in patients with ulcerative colitis (UC) to evaluate its safety and feasibility.MethodsInclusion criteria comprised patients with UC undergoing minimally invasive proctocolectomy at our hospital from May 2014 to May 2023. The TAMIP‐IPAA approach involved precise rectal mucosa removal while preserving the sphincter muscle during laparoscopic transanal manipulation.ResultsIn the evaluation of short‐term outcomes for 71 patients undergoing proctocolectomy, the TAMIP group (37 patients) outperformed the non‐TAMIP group in operative time (395 vs. 289 min, p < 0.001) and postoperative hospital stay (12 vs. 8 days, p < 0.001). Additionally, TAMIP‐IPAA demonstrated advantages over traditional IPAA (seven patients), in operative time (443 vs. 289 min, p = 0.006), intraoperative blood loss (392 vs. 130 mL, p = 0.001), postoperative hospital stay (18 vs. 8 days, p = 0.003), anastomotic leakage (42.9% vs. 8.1%, p = 0.041), and re‐admission within 30 days (57.1% vs. 8.1%, p = 0.009). Wexner scores were significantly superior in the TAMIP‐IPAA group at 6 months (14.5 vs. 8.0 points, p = 0.029) and 1 year post stoma closure (14.0 vs. 7.0 points, p = 0.020), indicating enhanced short‐term outcomes and defecation function compared to traditional IPAA.ConclusionsTAMIP‐IPAA for UC has the potential to offer promising benefits, including the enhancement of short‐term outcomes and the improvement of defecation function.
Extracorporeal membrane oxygenation‐facilitated palliative radiotherapy for severe airway obstruction due to lung cancer: A case report
Authors: Mori Hitoshi , Kashiura Masahiro , Yoshimura Yuya , Yamahata Yuki , Tokura Tomohisa , Nodagashira Tatsuya , Konn Akihide , Moriya Takashi 
Published: July 2024

AbstractBackgroundThe use of venovenous extracorporeal membrane oxygenation (VV‐ECMO), particularly during radiotherapy, for severe malignant central airway obstruction has rarely been reported.Case PresentationA 47‐year‐old female presented to our emergency department with severe respiratory distress. Given her medical history, she was initially diagnosed with asthma. Despite initial treatment, which included intubation, her condition deteriorated, necessitating VV‐ECMO. Computed tomography performed following the initiation of VV‐ECMO revealed extensive lung cancer involving both bronchial types. Radiotherapy while on VV‐ECMO led to a significant reduction in tumor size, allowing for the weaning of ECMO support and successful extubation.ConclusionMalignant central airway obstruction is life‐threatening. Our case demonstrates the efficacy of combining VV‐ECMO with radiotherapy when conventional therapies fail. Further research is necessary to validate and explore this novel approach's implications.
Light‐Induced Unlocking Reactivity of Fragments for Fast Target‐Guided Synthesis of Carbonic Anhydrase Inhibitors
Authors: Puteaux Chloé , Toubia Isabelle , Truong Lina , Hubert‐Roux Marie , Bailly Laetitia , Oulyadi Hassan , Renard Pierre‐Yves , Sabot Cyrille 
Published: July 2024

AbstractWe showcase the successful combination of photochemistry and kinetic target‐guided synthesis (KTGS) for rapidly pinpointing enzyme inhibitors. KTGS is a fragment‐based drug discovery (FBDD) methodology in which the biological target (BT) orchestrates the construction of its own ligand from fragments featuring complementary reactive functionalities. Notably, fragments interacting with the protein binding sites leverage their spatial proximity, facilitating a preferential reaction. Consequently, the resulting bivalent ligand exhibits heightened affinity. Within the realm of KTGS strategies, in situ click chemistry stands out as the most widely used to identify potent protein binders. This approach requires significant protein contributions, such as binding interactions and appropriate orientations of fragments, to overcome high activation barriers. This leads to prolonged incubation times and the potential for generating false negatives, thereby limiting this strategy to proteins that are stable enough in buffer. We herein unveil the possibility to integrate photochemistry into the realm of KTGS, accelerating the ligation reaction between fragments to a time scale of minutes. This approach should significantly expand the narrow reactivity window of traditional KTGS reactions, paving the way for the exploration and development of novel photo‐KTGS reactions.
2,3 : 6,7‐Naphthalene Bis(dicarboximide) Cyclophane: A Photofunctional Host for Ambient Delayed Fluorescence in Solution
Authors: Garain Swadhin , Li Pei‐Lun , Shoyama Kazutaka , Würthner Frank 
Published: July 2024

AbstractHarvesting triplet excitons of heavy atom‐free purely organic chromophores under aerated conditions is challenging due to the quenching of long‐lived triplet states by molecular oxygen and vibrational dissipation. Herein, we show a supramolecular approach of triplet harvesting via mitigating quenching pathways of a triplet harvester. Specifically, we used a host–guest system based on 2,3 : 6,7‐naphthalene bis(dicarboximide)‐derived cyclophane (NBICy) and carbazole derivative (EtCz). Complexation studies and single‐crystal X‐ray analysis showed the formation of a rigid host–guest complex (K≈104 M−1 in CCl4), resulting in triplet‐exciton stabilization under aerated conditions via mitigating vibrational interference and oxygen quenching. Photophysical studies elucidate the delayed fluorescence emission from the charge‐transfer state (1CT) with a quantum yield (QY) of 6–8 % under ambient conditions which increased up to 36 % in an inert atmosphere.
Zero‐Bias Anti‐Ohmic Behaviour in Diradicaloid Molecular Wires
Authors: Sil Amit , Hamilton Lewis , Morris James M. F. , Daaoub Abdalghani H. S. , Burrows James H. H. , Robertson Craig M. , Luzyanin Konstantin , Higgins Simon J. , Sadeghi Hatef , Nichols Richard J. , Sangtarash Sara , Vezzoli Andrea 
Published: July 2024

AbstractOpen‐shell materials bearing multiple spin centres provide a key route to efficient charge transport in single‐molecule electronic devices. They have narrow energy gaps, and their molecular orbitals align closely to the Fermi level of the metallic electrodes, thus allowing efficient electronic transport and higher conductance. Maintaining and stabilising multiple open‐shell states—especially in contact with metallic electrodes—is however very challenging, generally requiring a continuous chemical or electrochemical potential to avoid self‐immolation of the open‐shell character. To overcome this issue, we designed, synthesised, and measured the conductance of a series of bis(indeno) fused acenes, where stability is imparted by a close‐shell quinoidal conformation in resonance with the diradical electronic configuration. We show here that these compounds have anti‐ohmic behaviour, with conductance increasing with increasing molecular length, at an unprecedented rate and across the entire bias window (
). Density Functional Theory (DFT) calculations support our findings, showing the rapidly narrowing HOMO–LUMO gap, unique to these diradicaloid structures, is responsible for the observed behaviour. Our results provide a framework for achieving efficient transport in neutral compounds and demonstrate the promise that diradicaloid materials have in single‐molecule electronics, owing to their great stability and unique electronic structure.
nQuack: An R package for predicting ploidal level from sequence data using site‐based heterozygosity
Authors: Gaynor Michelle L. , Landis Jacob B. , O'Connor Timothy K. , Laport Robert G. , Doyle Jeff J. , Soltis Douglas E. , Ponciano José Miguel , Soltis Pamela S. 
Published: July 2024

AbstractPremiseTraditional methods of ploidal‐level estimation are tedious; using DNA sequence data for cytotype estimation is an ideal alternative. Multiple statistical approaches to leverage sequence data for ploidy inference based on site‐based heterozygosity have been developed. However, these approaches may require high‐coverage sequence data, use inappropriate probability distributions, or have additional statistical shortcomings that limit inference abilities. We introduce nQuack, an open‐source R package that addresses the main shortcomings of current methods.Methods and ResultsnQuack performs model selection for improved ploidy predictions. Here, we implement expectation maximization algorithms with normal, beta, and beta‐binomial distributions. Using extensive computer simulations that account for variability in sequencing depth, as well as real data sets, we demonstrate the utility and limitations of nQuack.ConclusionsInferring ploidy based on site‐based heterozygosity alone is difficult. Even though nQuack is more accurate than similar methods, we suggest caution when relying on any site‐based heterozygosity method to infer ploidy.
Using behavioral skills training to teach goal setting for health behaviors
Authors: Beaulieu Michelle , Normand Matthew P. , Miltenberger Raymond G. 
Published: July 2024

AbstractGoal setting is a component of many behavior‐change interventions, with the Specific, Measurable, Attainable, Relevant, Time‐Bound (SMART) goal‐setting method being a commonly used strategy. The current study used a multiple‐baseline across participants design to evaluate the efficacy of behavioral skills training (BST) to teach individuals to set health‐related SMART goals in response to multiple hypothetical health scenarios. Participant attempts at goal setting were scored according to a task analysis encompassing each major element of SMART goals. Goal‐setting performance noticeably improved following an average of 1.25 h of BST, and participants rated the intervention and outcomes favorably.
Immune mediated support of metastasis: Implication for bone invasion
Authors: Xin Zengfeng , Qin Luying , Tang Yang , Guo Siyu , Li Fangfang , Fang Yuan , Li Gege , Yao Yihan , Zheng Binbin , Zhang Bicheng , Wu Dang , Xiao Jie , Ni Chao , Wei Qichun , Zhang Ting 
Published: July 2024

AbstractBone is a common organ affected by metastasis in various advanced cancers, including lung, breast, prostate, colorectal, and melanoma. Once a patient is diagnosed with bone metastasis, the patient's quality of life and overall survival are significantly reduced owing to a wide range of morbidities and the increasing difficulty of treatment. Many studies have shown that bone metastasis is closely related to bone microenvironment, especially bone immune microenvironment. However, the effects of various immune cells in the bone microenvironment on bone metastasis remain unclear. Here, we described the changes in various immune cells during bone metastasis and discussed their related mechanisms. Osteoblasts, adipocytes, and other non‐immune cells closely related to bone metastasis were also included. This review also summarized the existing treatment methods and potential therapeutic targets, and provided insights for future studies of cancer bone metastasis.
ChatGPT‐3.5 and ‐4.0 and mechanical engineering: Examining performance on the FE mechanical engineering and undergraduate exams
Authors: Frenkel Matthew E. , Emara Hebah 
Published: July 2024

AbstractThe launch of Generative Pretrained Transformer (ChatGPT) at the end of 2022 generated large interest in possible applications of artificial intelligence (AI) in science, technology, engineering, and mathematics (STEM) education and among STEM professions. As a result many questions surrounding the capabilities of generative AI tools inside and outside of the classroom have been raised and are starting to be explored. This study examines the capabilities of ChatGPT within the discipline of mechanical engineering. It aims to examine the use cases and pitfalls of such a technology in the classroom and professional settings. ChatGPT was presented with a set of questions from junior‐ and senior‐level mechanical engineering exams provided at a large private university, as well as a set of practice questions for the Fundamentals of Engineering (FE) exam in mechanical engineering. The responses of two ChatGPT models, one free to use and one paid subscription, were analyzed. The paper found that the subscription model (GPT‐4, May 12, 2023) greatly outperformed the free version (GPT‐3.5, May 12, 2023), achieving 76% correct versus 51% correct, but the limitation of text only input on both models makes neither likely to pass the FE exam. The results confirm findings in the literature with regard to types of errors and pitfalls made by ChatGPT. It was found that due to its inconsistency and a tendency to confidently produce incorrect answers, the tool is best suited for users with expert knowledge.
Optimizing CO2 Purification in a Negative CO2 Emission Power Plant
Authors: Amiri Milad , Mikielewicz Jarosław , Ziółkowski Paweł , Mikielewicz Dariusz 
Published: July 2024

AbstractIn the pursuit of mitigating CO2 emissions, this study investigates the optimization of CO2 purification within a negative CO2 emission power plant using a spray ejector condenser (SEC) coupled with a separator. The approach involves direct‐contact condensation of vapor, primarily composed of an inert gas (CO2), facilitated by a subcooled liquid spray. A comprehensive analysis is presented, employing a numerical model to simulate a cyclone separator under various SEC outlet conditions. Methodologically, the simulation, conducted in Fluent, encompasses three‐dimensional, transient, and turbulent characteristics using the Reynolds stress model turbulent model and mixture model to replicate the turbulent two‐phase flow within a gas–liquid separator. Structural considerations are delved into, evaluating the efficacy of single‐ and dual‐inlet separators to enhance CO2 purification efficiency. The study reveals significant insights into the optimization process, highlighting a notable enhancement in separation efficiency within the dual‐inlet cyclone, compared to its single inlet counterpart. Specifically, a 90.7 % separation efficiency is observed in the former, characterized by symmetrical flow patterns devoid of wavering CO2 cores, whereas the latter exhibits less desirable velocity vectors. Furthermore, the investigation explores the influence of key parameters, such as liquid volume fraction (LVF) and water droplet diameter, on separation efficiency. It is ascertained that a 10 % LVF with a water droplet diameter of 10 µm yields the highest separation efficiency at 90.7 %, whereas a 20 % LVF with a water droplet diameter of 1 µm results in a reduced efficiency of 50.79 %. Moreover, the impact of structural modifications, such as the addition of vanes, on separation efficiency and pressure drop is explored. Remarkably, the incorporation of vanes leads to a 9.2 % improvement in separation efficiency and a 16.8 % reduction in pressure drop at a 10 % LVF. The findings underscore the significance of structural considerations and parameter optimization in advancing CO2 capture technologies, with implications for sustainable energy production and environmental conservation.
Redox Transformations of the OX063 Radical in Biological Media: Oxidative Decay of Initial Trityl with Further Formation of Structurally‐Modified TAM
Authors: Ovcherenko Sergey S. , Raizvich Arthur E. , Rogozhnikova Olga Yu. , Tormyshev Victor M. , Trukhin Dmitry V. , Koval Vladimir V. , Salnikov Georgii E. , Genaev Alexander M. , Shernyukov Andrey V. , Bagryanskaya Elena G. 
Published: July 2024

AbstractBeing a low‐toxic and hydrophilic representative of TAM, OX063 has shown its suitability for in‐vivo and in‐cell EPR experiments and design of spin labels. Using 13C labeling, we investigated the course of oxidative degradation of OX063 into quinone‐methide (QM) under the influence of superoxide as well as further thiol‐promoted reduction of QM into TAM radical, which formally corresponds to substitution of a carboxyl function by a hydroxyl group. We found these transformations being quantitative in model reactions mimicking specific features of biological media and confirmed the presence of these reactions in the blood and liver homogenate of mice in vitro. The emergence of the trityl with the hydroxyl group can be masked by an initial TAM in EPR spectra and may introduce distortions into EPR‐derived oximetry data if they have been obtained for objects under hypoxia. 13C labeling allows one to detect its presence, considering its different hyperfine splitting constant on 13C1 (2.04 mT) as compared to OX063 (2.30 mT). The potential involvement of these reactions should be considered when using TAM in spin‐labeling of biopolymers intended for subsequent EPR experiments, as well as in the successful application of TAM in experiments in vivo and in cell.
Photocatalytic Sulfonylation: Innovations and Applications
Authors: Huang An‐Xiang , Li Rui , Lv Qi‐Yan , Yu Bing 
Published: July 2024

AbstractPhotosynthesis, converting sustainable solar energy into chemical energy, has emerged as a promising craft to achieve diverse organic transformations due to its mild reaction conditions, sustainability, and high efficiency. The synthesis of sulfonated compounds has drawn significant attention in the pharmaceuticals, agrochemicals, and materials industries due to the unique structure and electronic properties of the sulfonyl groups. Over the past decades, many photocatalytic sulfonylation reactions have been developed. In this review, the recent advances in photocatalyzed sulfonylation have been reviewed since 2020, with a primary focus on discussing reaction design and mechanism.
The Milan system atypia of undetermined significance: 5‐year performance data
Authors: Lagerstam Henri , Tommola Erkka , Kares Saara , Kholová Ivana 
Published: July 2024

AbstractBackgroundThe objective of this study was to evaluate the diagnostic performance of the category atypia of undetermined significance (AUS) at the authors' institution based on the Milan System for Reporting Salivary Gland Cytopathology.MethodsAll AUS cases diagnosed at Fimlab Laboratories between January 1, 2018, and December 31, 2022, were included. Histologic verifications were checked until May 31, 2023. The upper‐bound and lower‐bound risk of malignancy and risk of neoplasm were calculated. The timelines between the pathology laboratory workflow and patient management were also calculated.ResultsFrom 1157 fine‐needle aspirations (FNAs), 162 (14.0%) AUS cases were diagnosed in 146 patients, with an average ± standard deviation age of 66.1 ± 14.9 years. There was variation in the AUS percentages, with higher values during the coronavirus disease 2019 pandemic years (15% and 17.5% in 2020 and 2021, respectively). Seventy‐five cases (46.3%) had histologic follow‐up: 16 were malignant neoplasms, and 36 were benign neoplasms. The upper and the lower bounds of the‐risk of malignancy and risk of neoplasm were 21.3% and 69.3% and 9.9% and 32.1%, respectively. The average time from the first FNA with an AUS diagnosis to surgical resection ranged from 6 to 682 days, and the time to the first repeat FNA ranged from 10 to 691 days.ConclusionsThe results indicated higher percentages of AUS cases compared with the reference value, which may be attributed to the impact of the coronavirus disease 2019 pandemic. The risk of malignancy calculated in this study was closer to the reference value from the first edition of the Milan System for Reporting Salivary Gland Cytopathology compared with the second edition.
Optimizing Light Dynamics: Designing a Ni‐MOF Functionalized g‐C3N4 Type II Heterostructure and a Ti3C2 MXene Schottky Junction for the Efficient Photocatalytic H2 Production
Authors: Rajan Aswathy , Daniel Miriam , Rafi Jithin , Lazuli A R Stesho Crystalin , Neppolian Bernaurdshaw 
Published: July 2024

AbstractThe photocatalytic production of hydrogen (H2) from water is a vital avenue towards sustainable energy and addressing global environmental challenges. To maximize efficiency, harnessing the synergistic effects of multiple co‐catalysts is essential, as these interactions can significantly enhance performance. In this study, we introduce a ternary heterojunction composed of a nickel‐imidazole framework (Ni‐MOF), graphitic carbon nitride (CN), and Ti3C2 MXene (TC), employing solvothermal and wet impregnation methods, featuring a well‐designed Type II heterojunction and a noble metal‐free Schottky junction for efficient hydrogen evolution. The Type II heterojunction between Ni‐MOF and CN minimizes charge carrier recombination and promotes photogenerated electron generation, while TC as an electron acceptor enhances electron capture, increases participation in surface reactions, and augments active sites. Consequently, the Ni‐MOF/CN/TC hybrid catalyst achieves outstanding photocatalytic hydrogen evolution under visible light, with a peak production rate of 1044.46 μmol/g over 3 hours, surpassing CN by 13 fold and Ni‐MOF/CN by 50 %. This work provides insights into MXene‐based ternary systems, emphasizing the potential for enhanced light absorption and efficient charge separation, making it a promising platform for photocatalytic applications.