bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Influence of Donor/Acceptor Interfaces on Organic Solar Cells Efficiency and Stability Revealed through Theoretical Calculations and Morphology Characterizations
Authors: Shi Jingyu , Sun Kexuan , Chen Zhenyu , Qiu Yi , Liu Hui , Ma Wei , Liu Quan , Ge Ziyi 
Published: January 2024

AbstractEnd‐groups halogenation strategies, generally refers to fluorination and chlorination, have been confirmed as simple and efficient methods to regulate the photoelectric performance of non‐fullerene acceptors (NFAs), but a controversy over which one is better has existed for a long time. Here, two novel NFAs, C9N3‐4F and C9N3‐4Cl, featured with different end‐groups were successfully synthesized and blended with two renowned donors, D18 and PM6, featured with different electron‐withdrawing units. Detailed theoretical calculations and morphology characterizations of the interface structures indicate NFAs based on different end‐groups possess different binding energy and miscibility with donors, which shows an obvious influence on phase‐separation morphology, charge transport behavior and device performance. After verified by other three pairs of reported NFAs, a universal conclusion obtained as the devices based on D18 with fluorination‐end‐groups‐based NFAs and PM6 with chlorination‐end‐groups‐based NFAs generally show excellent efficiencies, high fill factors and stability. Finally, the devices based on D18: C9N3‐4F and PM6: C9N3‐4Cl yield outstanding efficiency of 18.53 % and 18.00 %, respectively. Suitably selecting donor and regulating donor/acceptor interface can accurately present the photoelectric conversion ability of a novel NFAs, which points out the way for further molecular design and selection for high‐performance and stable organic solar cells.
Mixed matrix membranes of polydimethylsiloxane with activated carbon for ABE separation
Authors: Gonçalves Bruno José Arcanjo , de Souza Figueiredo Kátia Cecília 
Published: January 2024

AbstractThe demand for the large‐scale biofuels production is very high. The use of ethanol and butanol in flex‐fuel vehicles have already been achieved, but still need improvement to decrease the gasoline‐dependence. In addition to it, the preparation of ethanol and butanol by eco‐friendly routes are still a challenge. The use of ABE route, in which acetone, butanol, and ethanol are prepared by fermentation of 5 or 6 carbon sugars, requires higher yields and better separation performance. The goal of this work was to evaluate the use of pervaporation through asymmetric activated carbon (AC) dispersed polymethylsiloxane membranes for the separation of ABE aqueous solution with 1 wt% total organics. The amount of the filler was varied from 0 to 3 wt%. Membranes were characterized by scanning electronic microscopy, Fourier transformed infrared spectroscopy, swelling in solvents, thermogravimetric analysis, and differential scanning calorimetry. Membrane with 1 wt% of AC membrane showed different behaviors both in thermal resistance, which was increased, and also in pervaporation separation index (PSI). In this condition, membrane total flux, separation factor, and PSI for ethanol were 13.2, 2.6, and 19.9 g m−2 h−1, so that sorption behavior and diffusion rates were changed. Thus, it was possible to modulate membrane properties.
Seeing through a robot's eyes: A cross‐sectional exploratory study in developing a robotic screening technology for autism
Authors: So Wing‐Chee , Wong Elsa , Ng Wingo , Fuego John , Lay Sally , So Ming‐Ting , Lee Yuen‐Yung , Chan Wai‐Yan , Chua Lok‐Ying , Lam Hiu‐Lok , Lam Wing‐Tung , Li Hin‐Miu , Leung Wing‐To , Ng Yu‐Hei , Wong Wing‐Ting 
Published: January 2024

AbstractThe present exploratory cross‐sectional case–control study sought to develop a reliable and scalable screening tool for autism using a social robot. The robot HUMANE, installed with computer vision and linked with recognition technology, detected the direction of eye gaze of children. Children aged 3–8 (M = 5.52;N = 199) participated, 87 of whom had been confirmed with autism, 55 of whom were suspected to have autism, and 57 of whom were not considered to cause any concern for having autism. Before a session, a human experimenter instructed HUMANE to narrate a story to a child. HUMANE prompted the child to return his/her eye gaze to the robot if the child looked away, and praised the child when it re‐established its eye gaze quickly after a prompt. The reliability of eye gaze detection was checked across all pairs of human raters and HUMANE and reached 0.90, indicating excellent interrater agreement. Using the pre‐specified reference standard (Autism Spectrum Quotient), the sensitivity and specificity of the index tests (i.e., the number of robot prompts and duration of inattentiveness) reached 0.88 or above and the Diagnostic Odds Ratios were beyond 190. These results show that social robots may detect atypical eye patterns, suggesting a potential future for screening autism using social robots.
Intellectual development in young children with autism spectrum disorders: A longitudinal study
Authors: Peristeri Eleni , Andreou Maria 
Published: January 2024

AbstractIntelligence profiles in autism have been characterized by great variability. The questions of how autistic children's intelligence changes over time, and what factors influence these changes deserve study as part of efforts to document child autism profiles, but also because the relationship between intellectual functioning and children's background characteristics is poorly understood, particularly in a longitudinal context. A total of 39 autistic children and 39 age‐matched neurotypical children (5–9 years old) completed two IQ assessments at preschool age and up to 4 years later. Repeated‐measures analyses assessed longitudinal changes in the children's verbal (VIQ), performance (PIQ), and full‐scale IQ (FSIQ) at group level. We further sought to identify clusters with distinct profiles in each group by adopting an unsupervised K‐means clustering approach, and detect possible between‐subgroup differences in terms of children's socioeconomic status and autism severity. The largest cluster in the autistic group was composed of children whose PIQ significantly dropped at follow‐up, while the second largest cluster improved in all quotients; the smallest cluster, wherein children had more highly educated mothers than the rest of the clusters, was characterized by large improvement in VIQ. For the neurotypical children, there was a two‐cluster division; the majority of them improved in the three quotients, while very few dropped in PIQ at follow‐up. The relation between socioeconomic status and IQ changes was significant for both groups. The findings demonstrate both the complexity of intelligence changes in autism and the need to view this complexity through the lens of the children's socioeconomic diversity.
Delayed intestinal perforation associated with peritoneal dialysis: A case report of maintaining dialysis after perforation
Authors: Zhou Ru , Luo Minhong , Tang Hairong , Yang Tiecheng , Ma Hualin , Wang Zhen , Zhang Xinzhou , Guo Baochun 
Published: January 2024

Key Clinical MessageDelayed intestinal perforation has various manifestations. For peritonitis with delayed treatment and multi‐bacterial peritonitis, we should be alert to the occurrence of this rare complication. Abdominal CT examination and imaging results judgment based on clinical conditions are particularly important for diagnosis. Delayed intestinal perforation of peritoneal dialysis catheter is a rare but serious complication. We reported a 49‐year‐old patient who had been hospitalized twice within 3 months due to poor drainage of the peritoneal dialysis catheter. During the first hospitalization, peritoneal dialysis‐related peritonitis was diagnosed, and a variety of bacterial infections were cultivated. However, at that time, the actual peritoneal dialysis catheter‐related intestinal perforation was missed, and he was discharged after anti‐infection treatment until a clinical cure was met. After more than 2 months of normal peritoneal dialysis after returning home, the patient again had poor drainage of the peritoneal dialysis catheter, accompanied by the outflow of yellowish‐brown sediment. It was found that the peritoneal dialysis catheter had evidence of intestinal perforation. After the removal of the catheter and intestinal repair, he recovered and was discharged from the hospital and received long‐term hemodialysis treatment. In the case of delayed intestinal perforation, peritoneal dialysis was maintained normally for more than 2 months, which was an unprecedented situation in previous case reports. In addition, we should be alert to the occurrence of this rare complication, especially when we find the occurrence of polybacterial Peritonitis. Abdominal CT examination and imaging results judgment based on clinical conditions are particularly important for diagnosis.
{Ru(C6H6)}‐Decorating Heteropolymolybdate for Highly Activity Photocatalytic Oxidation of Benzyl Alcohol to Benzaldehyde
Authors: Tang Wei , Liu Yanan , Jin Yuzhen , Shi Weixia , Sun Jialiang , Ma Pengtao , Niu Jingyang , Wang. Jingping 
Published: January 2024

AbstractAn unclassical structure of {Ru(C6H6)}‐based polyoxometalate, Cs6H4[Te2Mo12O46{Ru(C6H6)}] ⋅ 16.5H2O (1), has been successfully constructed from {Te2Mo12O46}‐type heteropolymolybdate and {Ru(C6H6)} group, which structure type was discovered for the first time. Compound 1 not only possesses strong light‐harvesting ability, but also exhibits high carrier separation efficiency and lower charge transfer resistance. Under visible light irradiation, compound 1 displayed excellent catalytic activity and circularity in the conversion of benzyl alcohol to benzaldehyde (yield=94 %; turnover number=500; turnover frequency=20.8 h−1). Finally, the electron paramagnetic resonance measurement and energy level matching analysis provide theoretical basis for the derivation of the reaction mechanism.
Hydroxytrifluoroethylation and Trifluoroacetylation Reactions via SET Processes
Authors: Gallego‐Gamo Albert , Pleixats Roser , Gimbert‐Suriñach Carolina , Vallribera Adelina , Granados Albert 
Published: January 2024

AbstractHydroxytrifluoroethyl and trifluoroacetyl groups are of utmost importance in biologically active compounds, but methods to tether these motifs to organic architectures have been limited. Typically, the preparation of these compounds relied on the use of strong bases or multistep routes. The renaissance of radical chemistry in photocatalytic, transition metal mediated, and hydrogen atom transfer (HAT) processes have allowed the installation of these medicinally relevant fluorinated motifs. This review provides an overview of the methods available for the direct synthesis of hydroxytrifluoroethyl‐ and trifluoroacetyl‐derived compounds governed by single‐electron transfer processes.
Insights into the Mechanism of Neptunium Oxidation to the Heptavalent State
Authors: Kravchuk Dmytro V. , Augustine Logan J. , Rajapaksha Harindu , Benthin Grant C. , Batista Enrique R. , Yang Ping , Forbes Tori Z. 
Published: January 2024

AbstractNeptunium can exist in multiple oxidation states, including the rare and poorly understood heptavalent form. In this work, we monitored the formation of heptavalent neptunium [Np(VII)O4(OH)2]3− during ozonolysis of aqueous MOH (M=Li, Na, K) solutions using a combined experimental and theoretical approach. All experimental reactions were closely monitored via absorption and vibrational spectroscopy to follow both the oxidation state and the speciation of neptunium guided by the calculated vibrational frequencies for various neptunium species. The mechanism of the reaction partly involves oxidative dissolution of transient Np(VI) oxide/hydroxide solid phases, the identity of which are dependent on the co‐precipitating counter‐cation Li+/Na+/K+. Additional calculations suggest that the most favorable energetic pathway occurs through the reaction of a [Np(V)O2(OH)4]3− with the hydroxide radical to form [Np(VI)O2(OH)4]2−, followed by an additional oxidation with HO⋅ to create [Np(VII)O4(OH)2]3−.
Type‐I Photodynamic Therapy Induced by Pt‐Coordination of Type‐II Photosensitizers into Supramolecular Complexes
Authors: Fan Xiaoxue , Lv Shibo , Lv Fangyuan , Feng Erting , Liu Dapeng , Zhou Panwang , Song Fengling 
Published: January 2024

AbstractPlatinum supramolecular complexes based on photosensitizers have garnered great interest in photodynamic therapy (PDT) due to Pt (II) centers as chemotherapeutic agents to eliminate tumor cells completely, which greatly improve the antitumor efficacy of PDT. However, in comparison to precursor photosensitizer ligand, the formed platinum supramolecular complexes typically exhibit inferior outcomes in terms of reactive oxygen species (ROS) generation. How to boost ROS generation in the formed platinum supramolecular complexes for enhanced PDT is an enticing yet highly challenging task. Here we report a Pt‐coordination‐based dimeric photosensitizer complex (Cz−BTZ−Py)2Pt(OTf)2. It is found that comparing with photosensitizer ligand Cz−BTZ−Py, the formed supramolecular complex exhibit redshifts of absorption wavelength as well as enhanced ROS generation efficiency. Moreover, type‐I ROS generation (O2⋅−) is produced in the formed platinum supramolecular complexes mainly due to a reduced energy gap ΔEST resulting from exciton coupling between two photosensitizer ligands. And type‐I ROS (O2⋅−) generation significantly amplifies the photodynamic therapy (PDT) outcomes. In vitro evaluation shows excellent photochemotherapy performance of (Cz−BTZ−Py)2Pt(OTf)2 nanoparticles. We anticipate this work would provide a novel approach to design type‐I photosensitizers for efficient PDT.
Is it time for Heart–Brain clinics? A clinical survey and proposition to improve current care for cognitive problems in heart failure
Authors: Nijskens Charlotte M. , Thomas Elias G. , Rhodius‐Meester Hanneke F. M. , Daemen Mat J. A. P. , Biessels Geert Jan , Handoko M. Louis , Muller Majon 
Published: January 2024

AbstractBackgroundCognitive impairment is highly prevalent among patients with heart failure (HF). International guidelines on the management of HF recommend screening for cognitive impairment and tailored care for patients with cognitive impairment. However, practical guidance is lacking. In this study, we explore cardiologists' perspective on screening and care for cognitive impairment in patients with HF. We give an example of a multidisciplinary Heart–Brain care pathway that facilitates screening for cognitive impairment in patients with HF.MethodsWe distributed an online survey to cardiologists from the Dutch working groups on Geriatric Cardiology and Heart Failure. It covered questions about current clinical practice, impact of cognitive impairment on clinical decision‐making, and their knowledge and skills to recognize cognitive impairment.ResultsThirty‐six out of 55 invited cardiologists responded. Only 3% performed structured cognitive screening, while 83% stated that not enough attention is paid to cognitive impairment. More than half of the cardiologists desired more training in recognizing cognitive impairment and three‐quarters indicated that knowing about cognitive impairment would change their treatment plan. Eighty percent agreed that systematic cognitive screening would benefit their patients and 74% wished to implement a Heart–Brain clinic. Time and expertise were addressed as the major barriers to screening for cognitive impairment.ConclusionAlthough cardiologists are aware of the clinical relevance of screening for cognitive impairment in cardiology patients, such clinical conduct is not yet commonly practiced due to lack of time and expertise. The Heart–Brain care pathway could facilitate this screening, thus improving personalized care in cardiology.
Plasmon induced hot carrier distribution in Ag20‐CO composite
Authors: Mokkath Junais Habeeb 
Published: January 2024

AbstractThe interaction between plasmons and the molecules leads to the transfer of plasmon‐induced hot carriers, presenting innovative opportunities for controlling chemical reactions on sub‐femtosecond timescales. Through real‐time time‐dependent density functional theory simulations, we have investigated the enhancement of the electric field due to plasmon excitation and the subsequent generation and transfer of plasmon‐induced hot carriers in a linear atomic chain of Ag20 and an Ag20‐CO composite system. By applying a Gaussian laser pulse tuned to align with the plasmon frequency, we observe a plasmon‐induced transfer of hot electrons from the occupied states of Ag to the unoccupied molecular orbitals of CO. Remarkably, there is a pronounced accumulation of hot electrons and hot holes on the C and O atoms. This phenomenon arises from the electron migration from the inter‐nuclear regions of the C−O bond towards the individual C and O atoms. The insights garnered from our study hold the potential to drive advancements in the development of more efficient systems for catalytic processes empowered by plasmonic interactions.
Selecting non‐metal doped FeS2 as efficient sulfur cathode host for enhanced Li−S redox chemistry
Authors: Wei Cheng‐Dong , Xue Hong‐Tao , Zhang Zhi‐Jun , Zhao Fen‐Ning , Tang Fu‐Ling 
Published: January 2024

AbstractLithium‐sulfur batteries (LSBs) are considered as the development direction of the new generation energy storage system due to their high energy density and low cost. The slow redox kinetics of sulfur and the shuttle effect of lithium polysulfide (LiPS) are considered to be the main obstacles to the practical application of LSBs. Transition‐metal sulfide as the cathode host can improve the Li−S redox chemistry. However, there has been no investigation of the application of FeS2 host in Li−S redox chemistry. Applying the first‐principles calculations, we investigated the formation energy, band gap, Li+ diffusion, adsorption energy, catalytic performance and Li2S decomposition barrier of FeAxS2−x (A=N, P, O, Se; x=0, 0.125, 0.25, 0.375) to explore the Li−S redox chemistry and finally select excellent host material. FeA0.25S1.75 (A=P, Se) has a low Li+ diffusion barrier and superior electronic conductivity. FeO0.25S1.75 is more favorable for LiPS adsorption, followed by FeP0.25S1.75. FeP0.25S1.75(001) shows a low overpotential for the Li−S redox chemistry. In summary, FeP0.25S1.75 has more application potential in LSBs due to its physical and chemical properties, followed by FeSe0.25S1.75. This work provides theoretical guidance for the design and selection of the sulfur cathode host materials in LSBs.
Clinical usefulness of image‐enhanced endoscopy for the diagnosis of ulcerative colitis‐associated neoplasia
Authors: Takabayashi Kaoru , Kato Motohiko , Kanai Takanori 
Published: January 2024

AbstractPatients with a long history of ulcerative colitis (UC) are at risk of developing a significant complication known as UC‐associated neoplasia (UCAN). To reduce the risk of UCAN and the associated mortality, the current guidelines recommend initiating surveillance colonoscopy 8–10 years after confirmation of UC diagnosis. In recent years, advancements in endoscopic diagnostic technologies, including magnifying and image‐enhancing techniques, have allowed for the production of high‐contrast images that emphasize mucosal structures, vascular patterns, and color tones. Recently, image‐enhanced endoscopy technologies have become available and offer the potential to improve the qualitative endoscopic assessment of UCAN. The use of high‐definition chromoendoscopy enables the evaluation of subtle mucosal patterns in the colon. Magnifying narrow‐band imaging facilitates the visualization of mucosal vascular structures. Texture and color enhancement imaging processes structure, color tone, and brightness aspects more appropriately, whereas linked color imaging optimizes the emphasis on mucosal and vascular redness. Both techniques are expected to excel in the depiction of subtle color variations and mucosal changes characteristic of UCAN. This article provides an overview of the current status and future challenges regarding the use of various image‐enhanced endoscopy techniques in the diagnosis of UCAN.
Comparison of cold snare polypectomy for sessile serrated lesions ≥10 mm between experienced and trainee endoscopists: A propensity score matching cohort study
Authors: Kimoto Yoshiaki , Sawada Rikimaru , Banjoya Susumu , Iida Toshihumi , Kimura Tomoya , Furuta Koichi , Nagae Shinya , Ito Yohei , Yamazaki Hiroshi , Takeuchi Nao , Takayanagi Syunya , Kano Yuki , Sakuno Takashi , Ono Kohei , Negishi Ryoju , Sakai Eiji , Minato Yohei , Chiba Hideyuki , Ohata Ken 
Published: January 2024

AbstractObjectivesPrevious studies of cold snare polypectomy (CSP) for sessile serrated lesions (SSLs) ≥10 mm were performed by experienced endoscopists, and therefore their skills might have significantly influenced results. In this study, we compared the efficacy and safety of CSP for SSLs ≥10 mm between experienced and trainee endoscopists.MethodsIn a 1:1 propensity score matched retrospective cohort study, we compared the complete resection rate, en‐bloc resection rate, adverse event rate, and procedure time between experienced and trainee groups. Thirteen endoscopists performed CSP, and we defined the experienced group as endoscopists with board certification from the Japan Gastroenterological Endoscopy Society.ResultsWe examined 616 lesions with SSLs ≥10 mm resected by CSP between February 2018 and May 2022. We excluded 61 lesions from the analysis because they had simultaneously undergone hot snare polypectomy (n = 57) or had been taken over by experienced endoscopists from trainees in the CSP procedure (n = 4). Finally, we identified 217 propensity score‐matched pairs (n = 434). Between experienced and trainee groups, the results were complete resection rate (100 vs. 100%; p = 1.00), en‐bloc resection rate (73.2 vs. 75.6%; p = 0.24), adverse event rate (3.2 vs. 2.8%; p = 0.77), or procedure time (6.2 vs. 5.9 min; p = 0.64).ConclusionsWe have demonstrated the safety and efficacy of CSP for SSLs ≥10 mm performed by experienced and trainee endoscopists.
Guide for application of macroporous adsorption resins in polysaccharides purification
Authors: Zhou Yanan , Dai Xin , Zhang Jingyuan , Gao ShuJuan , Lu Xu 
Published: January 2024

AbstractAs a highly selective, recoverable, and low‐cost process, macroporous resins (MPRs) are of interest for the purification of bioactive components from natural products. This guide takes super‐crosslinked MPR as an example, and focuses on application of macroporous adsorption resin in polysaccharide purification, including pretreatment and regeneration of macroporous adsorption resin, various factors affecting the adsorption effect of macroporous adsorption resin, and adsorption mechanism of resin.