bluuebunny/crossref_metadata_2025_split huggingface dataset:
Recurrence of valvular involvement in Libman–Sacks endocarditis associated with antiphospholipid syndrome: A case report
Authors: Masoumi Shahab , Parizad Razieh , Parvizi Rezayat , Jabbaripour Sarmadian Amirreza , Jafarisis Samira , Seyed Toutounchi Kia 
Published: August 2024

Key Clinical MessageRecurrence of valvular involvement may occur after Libman–Sacks endocarditis surgery, emphasizing the need for frequent multivalvular evaluations with echocardiography or more sensitive methods to optimize surgical outcomes.AbstractThis report presented a 32‐year‐old woman, complaining of recurrent fever and chills. Physical examination revealed the presence of a third heart sound (S3), a pan‐systolic murmur (III/VI) at mitral and tricuspid foci, tachycardia, and fine pulmonary crackles. Transesophageal echocardiography (TEE) revealed severe mitral regurgitation (MR) and moderate tricuspid regurgitation (TR) with vegetations on the mitral valve. Initially, intravenous antibiotic therapy was started simultaneously with diagnostic studies. Despite a positive TEE, negative blood cultures on three separate occasions precluded meeting the diagnostic criteria outlined in the modified Duke criteria. Moreover, the patient's condition continued to deteriorate after antibiotic therapy, leading to the diagnosis of Libman–Sacks endocarditis. The patient was considered a candidate for mitral valve surgery. All vegetations were completely debrided and then the mitral valve was reconstructed. Follow‐up post‐surgery echocardiography revealed the absence of MR and mitral stenosis (MS). Four months later, the patient presented again complaining of fatigue, dyspnea, lower extremity edema, and ascites with evidence of pulmonary hypertension and right heart failure on physical examination. TEE was performed, which revealed severe MR, severe TR, detached artificial chordae, and blood leak from the perforated pericardial patch. Therefore, she was necessitated for valvular surgery and underwent mitral and tricuspid valve surgery. The mitral ring and perforated pericardial patch were removed, and a mitral prosthetic valve was implanted. In addition, the tricuspid valve was repaired. Follow‐up post‐surgery echocardiography revealed the absence of MR and TR. To our knowledge, this is the first case of LSE recurrence with multi‐valvular involvement.
Pd/PVP‐ Catalyzed Formylation of Amines and Nitroarenes to N‐Formamides with CO2 and Dimethylamine Borane: The Influence of CO2 on the Formation of Azoxyarenes
Authors: Skarżyńska Anna , Gil Wojciech , Trzeciak Anna M. 
Published: August 2024

AbstractThe reactivity of dimethylamine borane (DMAB) towards amines and nitroarenes was investigated in the presence of the CO2 and Pd/PVP (PVP=polyvinylpyrrolidone) nanocatalyst. The formation of borane formate, Me2NH.BH2(OCHO), by the insertion of CO2 into the B−H bond was evidenced by NMR. The reaction of DMAB with CO2 also produced a second product, DMF, formed via self‐formylation. In the presence of aromatic or aliphatic amines corresponding N‐formamides were formed efficiently. Under the same conditions nitroarenes were hydrogenated to anilines or to azoxyarenes in the absence of CO2. In both reactions very high TOF values, up to 30 min−1, were obtained. Applying a higher excess of DMAB enabled the transformation of nitroarenes to N‐formamides. The Pd/PVP catalyst was used in 7 consecutive cycles of N‐methylaniline formylation with excellent selectivity and a total TON equal to 4700.
Copper Incorporated Covalent Organic Framework as a Heterogeneous Catalyst for CuAAC Reaction
Authors: Mohit  , Justin Thomas K. R. 
Published: August 2024

AbstractCovalent organic frameworks (COFs) incorporating metal are attractive alternatives for metal‐catalyzed organic transformations. For effective metal incorporation in COF a favorable ligand environment is required. Pyridine and hydrazone units can provide effective binding sites for transition metals. The major challenge in synthesizing hydrazone‐linked COFs is the inherent flexibility of the linker, causing differences in lengths and orientations during solvothermal synthesis. We demonstrate that incorporation of enol form in the framework facilitates non‐covalent interactions such as hydrogen bonding, reduces degrees of freedom and enhances rigidity. Here, we synthesized TFP‐PyHz COF utilizing 2,4,6‐trihydroxybenzene‐1,3,5‐tricarbaldehyde (TFP) and pyridine‐2,6‐dicarbohydrazide. Enol form in the framework was confirmed by comparing the IR and 13C solid‐state NMR spectra of TFP‐PyHz with its model compound. The presence of this enol form also facilitates the incorporation of Cu2+ through post‐modification as confirmed by IR and XPS analysis of postmodified Cu‐TFP‐PyHz. The copper‐incorporated material Cu‐TFP‐PyHz is utilized as a heterogeneous catalyst for copper‐catalyzed click reactions, enabling the synthesis of 1,4‐triazoles.
Modified H‐BEA Zeolites from Fluorinated Silica Slag Waste by Dry Gel Conversion Method for Shape‐Selective Acylation of 2‐Methoxynaphthalene
Authors: Wang Xiao , Zhao Zhongkui 
Published: August 2024

AbstractThe high value‐added utilization of the fluorinated silica slag (FSS) waste, an associated by‐product of the anhydrous HF production from the accompanying fluorine resources in phosphate ore, is of great importance, but it remains a challenge. In this work, the Mg modified and unmodified Hβ zeolites from FSS waste were successfully prepared by a green dry gel conversion crystallization method with tetraethylammonium hydroxide (TEAOH) as a structure‐directing agent (SDA). The in situ Mg modified Hβ zeolite (Mg−Hβ) shows much superior catalytic performance to unmodified (Hβ) and post Mg‐modified Hβ (Mg/Hβ) zeolites for acetylation of 2‐methoxynaphthalene (2‐MN) to 6‐acetyl‐2‐methoxynaphthalene (2,6‐AcMN), and the 40.2 % of conversion for 2‐MN with 66.3 % of selectivity for 2,6‐AcMN were achieved, ascribed to the high amount of B acidic sites and the promoted shape‐selective catalysis effect by higher surface area and volume of micropores. This work not only opens a new avenue for the high value‐added utilization of fluorinated silica slag waste, but also generates an efficient solid acid catalyst for the clean production of 2,6‐AcMN through the acetylation of 2‐MN with acetic anhydride.
Effect of the Precursor Metal Salt on the Oxygen Evolution Reaction for NiFe Oxide Materials
Authors: Zuber Axel , Oikonomou Ilias M. , Gannon Lee , Chunin Igor , Reith Lukas , Can Belin , Lounasvuori Mailis , Schultz Thorsten , Koch Norbert , McGuinness Cormac , Menezes Prashanth W. , Nicolosi Valeria , Browne Michelle P. 
Published: August 2024

AbstractBimetallic nickel‐iron based oxides are regarded as one of the most promising catalysts for the oxygen evolution reaction (OER). In this study, we show that the precursor metal salts can affect the OER activity of the resulting Ni/Fe oxide under the same hydrothermal synthesis conditions. Pure sulfate, pure nitrate and mixed sulfate/nitrate metal salts were used to fabricate NiFe based oxide materials and to study the importance of the precursor choice for the OER. The results show that the nature of the precursor used in the synthesis of the bimetallic nickel‐iron materials can influence different multi‐phase catalysts to form which effects the OER.
Regulate the Uniform Deposition of Lithium Through MgF2/Hydroxypropyl Modified Polyethylene Separator Applied to Lithium Metal Batteries
Authors: Zhu Qilu , Su Zhuoying , Li Xinyu , Ding Jiaqi , Zhang Longkai , Xiao Xin , Zeng Ronghua , Nan Junming , Zuo Xiaoxi 
Published: August 2024

AbstractThe uneven growth of lithium dendrites not only compromise the performance of lithium metal batteries, but also has security risks. In this sutudy, double coating with MgF2 and hydroxypropyl methylcellulose was synthesized on the surface of polyethylene separator through a simple soaking and in‐situ chemical precipitation method, achieve the purpose of protecting lithium metal anode. Utilizing the MgF2/HPMC@PE separator, the Li||Li symmetric cell was capable of cycling for over 1000 hours with a voltage hysteresis of only 11.4 mV, comparing the voltage hysteresis based on the cell use of PE separator increases rapidly after 200 h. Furthermore, the initial discharge capacity of Li||LiNi0.6Co0.2Mn0.2O2(NCM622) is 144.6 mAh g−1 and the capacity retention is 87.2 % after 200 cycles at 1 C, which is higher than that of the PE separator (135.3 mAh g−1, with retention of 74.9 %). All improvements can be credited with the formation of stable solid electrolyte interphase(SEI) film induced by HPMC/MgF2 double coating, which is reduced the Li nucleation overpotential and ultimately promoted uniform Li deposition. This study provides a simple and effective strategy for improving the cycling performance and safety of lithium metal batteries.
Room‐Temperature Quantum Coherence of Reversible Photo‐Generated Radical and its Film
Authors: Cui Ming‐Hui , Lu Yi‐Ming , Wang Jia , Ouyang Zhongwen , Wang Zhenxing , Shao Chongyun , Song You 
Published: August 2024

AbstractElectron spin qubits are becoming an important research direction in the field of quantum computing and information storage. However, the quantum decoherence has seriously hindered the development of this field. So far, few qubits exhibit long phase memory time (Tm), and even fewer qubits that can reach room temperature. Some reports show that the coherence times of radicals are generally long, so radicals may be the preferred spin carriers for qubits. Here, we demonstrate the qubit properties of a photogenerated radical (1 a) based on 2,4,6‐Tri(4‐pyridyl)‐1,3,5‐triazine (tpt, 1). More importantly, the photogenerated radical is a spin self‐diluting complex, which the dilution is generally used in the investigation of qubits to reduce the interference of environment on qubits in order to overcome the decoherence of qubits. It is surprised that radical tpt has a stable Tm=1.1 μs above 20 K, even keep it to room temperature. In addition, the tpt‐film prepared by the vacuum evaporation is significantly increase the T1 and Tm at low temperature.
Effects of using a specially designed sludge draw‐off pipe for circular secondary clarifiers to mitigate underflow short‐circuiting
Authors: Koken Emre , Buyukkamaci Nurdan 
Published: August 2024

AbstractShort‐circuiting in secondary clarifiers is a well‐known problem that can occur through up‐flow or underflow routes. The underflow short‐circuiting is not as visible as up‐flow short‐circuiting but can affect clarifier performance. The energy‐dissipating inlet (EDI) is a type of inlet structure that is used in secondary clarifiers to dissipate the energy of larger influent volumes, allowing clarifiers to operate at higher treatment capacities. The underflow short‐circuiting is encountered particularly in clarifiers equipped with EDIs. As influent volume increases, conventional draw‐off pipes cannot handle high sludge capacities, deforming the sludge blanket and leading to lower concentration of solids being withdrawn. Retrofitting the design of draw‐off pipes is an effective way to mitigate underflow short‐circuiting and enhance treatment performance. In this study, a snail‐shaped sludge draw‐off pipe was designed and tested in two types of EDIs using computational fluid dynamics tools, showing a 20% increase in withdrawn sludge concentration and mitigating underflow short‐circuiting potential. The optimal retrofit option was identified as equipping the clarifier with a snail‐shaped draw‐off pipe and an innovative EDI, known as multilayer EDI column, which would save almost half of the energy and operational costs of the biological processes while meeting discharge limits.
Lactam Truncation Yields a Dihydroquinazolinone Scaffold with Potent Antimalarial Activity that Targets PfATP4
Authors: Ashton Trent D. , Calic Petar P. S. , Dans Madeline G. , Kang Ooi Zi , Zhou Qingmiao , Loi Katie , Jarman Kate E. , Palandri Josephine , Qiu Deyun , Lehane Adele M. , Maity Bikash , De Nirupam , Famodimu Mufuliat T. , Delves Michael J. , Mao Emma Y. , Gancheva Maria R. , Wilson Danny W. , Chowdury Mrittika , de Koning‐Ward Tania F. , Baud Delphine , Brand Stephen , Jackson Paul F. , Cowman Alan F. , Sleebs Brad E. 
Published: August 2024

AbstractThe emergence of resistance against current antimalarial treatments has necessitated the need for the development of novel antimalarial chemotypes. Toward this goal, we recently optimised the antimalarial activity of the dihydroquinazolinone scaffold and showed it targeted PfATP4. Here, we deconstruct the lactam moiety of the tricyclic dihydroquinazolinone scaffold and investigate the structure‐activity relationship of the truncated scaffold. It was shown that SAR between scaffolds was largely transferrable and generated analogues with potent asexual stage activity. Evaluation of the truncated analogues against PfATP4 mutant drug‐resistant parasite strains and in assays measuring PfATP4‐associated ATPase activity demonstrated retention of PfATP4 as the molecular target. Analogues exhibited activity against both male and female gametes and multidrug resistant parasites. Limited efficacy of analogues in a P. berghei asexual stage mouse model was attributed to their moderate metabolic stability and low aqueous stability. Further development is required to address these attributes toward the potential use of the dihydroquinazolinone class in a curative and transmission blocking combination antimalarial therapy.
Generative artificial intelligence as a source of breast cancer information for patients: Proceed with caution
Authors: Park Ko Un , Lipsitz Stuart , Dominici Laura S. , Lynce Filipa , Minami Christina A. , Nakhlis Faina , Waks Adrienne G. , Warren Laura E. , Eidman Nadine , Frazier Jeannie , Hernandez Lourdes , Leslie Carla , Rafte Susan , Stroud Delia , Weissman Joel S. , King Tari A. , Mittendorf Elizabeth A. 
Published: August 2024

AbstractBackgroundThis study evaluated the accuracy, clinical concordance, and readability of the chatbot interface generative pretrained transformer (ChatGPT) 3.5 as a source of breast cancer information for patients.MethodsTwenty questions that patients are likely to ask ChatGPT were identified by breast cancer advocates. These were posed to ChatGPT 3.5 in July 2023 and were repeated three times. Responses were graded in two domains: accuracy (4‐point Likert scale, 4 = worst) and clinical concordance (information is clinically similar to physician response; 5‐point Likert scale, 5 = not similar at all). The concordance of responses with repetition was estimated using intraclass correlation coefficient (ICC) of word counts. Response readability was calculated using the Flesch Kincaid readability scale. References were requested and verified.ResultsThe overall average accuracy was 1.88 (range 1.0–3.0; 95% confidence interval [CI], 1.42–1.94), and clinical concordance was 2.79 (range 1.0–5.0; 95% CI, 1.94–3.64). The average word count was 310 words per response (range, 146–441 words per response) with high concordance (ICC, 0.75; 95% CI, 0.59–0.91; p < .001). The average readability was poor at 37.9 (range, 18.0–60.5) with high concordance (ICC, 0.73; 95% CI, 0.57–0.90; p < .001). There was a weak correlation between ease of readability and better clinical concordance (−0.15; p = .025). Accuracy did not correlate with readability (0.05; p = .079). The average number of references was 1.97 (range, 1–4; total, 119). ChatGPT cited peer‐reviewed articles only once and often referenced nonexistent websites (41%).ConclusionsBecause ChatGPT 3.5 responses were incorrect 24% of the time and did not provide real references 41% of the time, patients should be cautioned about using ChatGPT for medical information.
Diagnostic performance of fine‐needle aspiration in soft tissue tumors: Application of the World Health Organization System for Reporting Soft Tissue Cytopathology and risk of malignancy assessment
Authors: Gajdzis Pawel , Brisse Hervé J. , Klijanienko Jerzy 
Published: August 2024

AbstractBackgroundRecently, a new World Health Organization Reporting System for Soft Tissue Cytopathology (WHO System) was introduced. To analyze the value of this system, routine fine‐needle aspiration soft tissue tumor (STT) cases were reviewed.MethodsCytology samples of STTs collected between 1954 and 2022 at the Institut Curie were used (2214 cases, including 1376 primary tumors). All specimens were classified according to the predominant cytomorphological pattern and the WHO System. The diagnostic accuracy and risk of malignancy (ROM) in each category were calculated.ResultsFinal diagnoses revealed 1236 malignancies and 978 benign or low‐risk tumors. The original cytological evaluation led to 21 false‐negative results (0.85%) and 29 false‐positive results (1.17%). Sensitivity, specificity, positive predictive value, and negative predictive value were 98.3%, 92.1%, 97.5%, and 94.2%, respectively. Overall diagnostic accuracy was 94.2%. The ROM calculated according to the WHO System was 29.87%, 2.49%, 39.62%, 51.43%, 68.42%, and 97.69% in the nondiagnostic, benign, atypical, soft tissue neoplasm of uncertain malignant potential, suspicious for malignancy, and malignant categories, respectively; however, it varied broadly depending on the morphological pattern (62.78% in spindle cell tumors, 84.58% in myxoid tumors, 3.00% in lipomatous tumors, 78.15% in epithelioid tumors, 94.26% in pleomorphic tumors, and 100% in round cell tumors).ConclusionsCytology of STTs is a powerful diagnostic method. Some cytological patterns overlap in different morphological groups, and the possibility of false‐negative and false‐positive diagnoses may persist. This analysis evidenced utility of the WHO System, especially when combined with morphological pattern assessment. Subclassification in particular diagnostic categories allowed for calculation of the ROM, which is crucial for optimal patient management.
Insight into rechargeable batteries in extreme environment for deep space exploration
Authors: He Yi , Shang Wenxu , Tan Peng 
Published: August 2024

AbstractSince the beginning of the new century, the objectives of deep space exploration missions targeting celestial bodies such as the Moon and Mars shift from “understanding celestial bodies” to “utilizing celestial bodies.” With respect to the successful operation of various load missions, secondary battery systems play a crucial role in supplying energy. However, unlike terrestrial environment, extremely harsh extraterrestrial conditions, including extreme temperatures and radiation, severely limit the application of batteries in deep spaces. This work covers recent advancements in batteries, including electrolyte/electrode optimization strategies and thermal management under extreme low‐ and high‐temperature conditions and the mechanism analysis of key battery components under radiation environments. Finally, perspectives are given on the remaining challenges posed by battery applications in extreme deep space environment.
Assignment of a Physical Energy Scale for the Dimensionless Interaction Energies within the PRIME20 Peptide Model
Authors: Kunze Thomas , Lauer Christian , Dreßler Christian , Sebastiani Daniel 
Published: August 2024

AbstractWe present a calibration scheme to determine the conversion factors from a coarse‐grained stochastic approximation Monte Carlo approach using the PRIME20 peptide interaction model to atomistic force‐field interaction energies at full explicit aqueous solvation. The conversion from coarse‐grained to atomistic structures was performed according to our previously established inverse coarse‐graining protocol. We provide a physical energy scale for both the backbone hydrogen bonding interactions and the sidechain interactions by correlating the dimensionless energy descriptors of the PRIME20 model with the energies averaged over molecular dynamics simulations. The conversion factor for these interactions turns out to be around 2 kJ/mol for the backbone interactions, and zero for the sidechain interactions. We discuss these surprisingly small values in terms of their molecular interpretation.
Energetic Methylene‐Bridged Furoxan‐Triazole/Tetrazole Hybrids
Authors: Shaferov Alexander V. , Ananyev Ivan V. , Monogarov Konstantin A. , Fomenkov Igor V. , Pivkina Alla N. , Fershtat Leonid L. 
Published: August 2024

AbstractDesign and synthesis of new energetic materials retains its urgency in chemistry and materials science. Herein, rational construction and regioselective synthesis of a series of energetic compounds comprising of a methylene‐bridged combination of 1,2,5‐oxadiazole and nitrogen‐rich azoles (1,2,4‐triazole and tetrazole) enriched with additional explosophoric functionalities (nitro and azo moieties) is presented. All target materials were thoroughly characterized using IR and multinuclear NMR (1H, 13C, 14N, 15N) NMR spectroscopy, high‐resolution mass spectrometry, X‐ray diffraction, and differential scanning calorimetry. All synthesized energetic substances showed good thermal stability (up to 239 °C) and low mechanical sensitivity, while their performance reached or exceeded the level of TNT.
Role of Worry in Addiction: Implication of Metacognitive Beliefs and Type 2 Worry
Authors: Improvisato Priscillia , Trouillet Raphaël , Schuldiner Sophie , Luquiens Amandine , Hamonnière Tristan , Donnadieu Hélène , Perney Pascal 
Published: August 2024

ABSTRACTIntroductionAccording to the self‐medication hypothesis, worriers use substances to cope with their symptoms; however, some published results have challenged this hypothesis. The aim of this study is to show if worry increases the risk of SUD when it is negatively appraised by negative metacognitive beliefs.MethodWe recruited three samples: 68 patients with a severe AUD, 27 patients dependent on eating and 42 control participants. We used the Yale Food Addiction Scale‐2, the Metacognitions Questionnaire‐65, the UPPS‐P Impulsive Behaviour Scale and the Anxiety Thoughts Inventory.ResultsWe confirmed a direct effect of worries and metaworry on alcohol (AUD) and eating addiction (EA), but our multivariate analyses revealed that metacognitive beliefs and metaworry are the most robust predictors of alcohol and eating addiction.DiscussionWe reported substance‐related differences in the relationship between worry and addiction. AUD is related to the metacognitive activity set in motion by worries while EA is associated with a maladaptive form of worry (meta‐worry) where worries are negatively interpreted.
Thermally Activated Delayed Fluorescence Emitters for Efficient Electrochemiluminescence
Authors: Liu Xiaobing , Cai Zhixiong , Wang Qingxiang 
Published: August 2024

AbstractThermally activated delayed fluorescence (TADF) materials have attracted considerable interest due to their ability to enhance electrochemiluminescence (ECL). This is achieved through the efficient upconversion of triplet excitons and the subsequent radiative transitions. However, despite the potential of TADF materials, there have been few studies exploring their application in ECL field. Accordingly, in this concept, a number of TADF materials, which can be categorized into two principal groups based on intramolecular bond charge transfer and intermolecular space charge transfer, are introduced in order to explore the potential for their application in ECL. A brief review of their properties not only helps to deepen the understanding of the nature of TADF materials, but also provides basic guidance and support for the introduction of the TADF mechanism into ECL systems, with the aim of enhancing the luminescence efficiency of ECL.