bluuebunny/crossref_metadata_2025_split huggingface dataset:
Improving Charge Transfer Beyond Conventional Heterojunction Photoelectrodes: Fundamentals, Strategies and Applications
Authors: Miao Jiaming , Yang Yilong , Cui Peng , Ru Changzhou , Zhang Kan 
Published: June 2024

AbstractPhotoelectrochemical (PEC) cells are regarded as a promising approach to convert sunlight to chemical fuels, whereas the serious photo‐induced charge recombination of the semiconductor photoelectrode hinders its solar conversion efficiency. Over the past few decades, designing and constructing heterojunction photoelectrodes via thermodynamically favorable charge transfer have been proven to be effective in boosting photo‐induced charge separation. However, the conventional heterojunction construction strategy generally introduces incompatible, nonconformal, or defective interfaces, leaving considerable room to improve the thermodynamically favorable charge transfer efficiency in the heterojunction photoelectrodes. To compensate for the unsatisfied charge transfer efficiency, some novel strategies, such as grain boundary engineering, band gap engineering, field‐effected engineering, etc., are adopted to provide additional charge transfer driving force, which significantly improves the charge transfer efficiency. In this review, these novel strategies are discussed beyond the conventional heterojunction construction, and the prospects for the development and applications of heterojunction photoanodes are also proposed.
Boosting Aluminum Adsorption and Deposition on Single‐Atom Catalysts in Aqueous Aluminum‐Ion Battery
Authors: Hu Erhai , Jia Bei‐Er , Nong Wei , Zhang Chenguang , Zhu Bing , Wu Dongshuang , Liu Jiawei , Wu Chao , Xi Shibo , Xia Dong , Zhang Mingsheng , Ng Man‐Fai , Sumboja Afriyanti , Hippalgaonkar Kedar , Yan Qingyu 
Published: June 2024

AbstractIn the quest for sustainable energy storage technologies, lithium‐based batteries, despite their prominence, face limitations such as high costs, safety risks, and supply chain issues. This has propelled the exploration of alternative materials, with aqueous aluminum‐ion batteries (AAIBs) emerging as a promising candidate due to their high energy density, abundance, and cost‐effectiveness. However, the low equilibrium reduction potential of aluminum ions presents significant challenges, including hydrogen evolution and poor cyclability. Addressing these, the study pioneers the application of single‐atom catalysts (SACs) in AAIBs, leveraging their high atom utilization and stability to enhance aluminum deposition and suppress hydrogen evolution. Sn, In, Cu, and Ni SACs are evaluated through density functional theory analysis and experimental validation, with Sn SAC identified as the most effective. Subsequently, the Sn SAC based anode demonstrates enhanced performance, achieving stable cycling over 500 h at 0.5 mA cm−2, significantly improved capacity retention (60 mAh g−1@300 cycles), and rate performance (50 mAh g−1@1 A g−1) in full cell tests. This work underscores the potential of SACs in advancing AAIB technology and opens new pathways for energy storage solutions.
Harmonizing Between Chemical Functionality and Surface Area of Porous Organic Polymeric Nanotraps for Tuning Carbon Dioxide Capture
Authors: Deka Dhruba Jyoti , Biswas Chandan , Paul Ratul , Xu Jiabin , Huang Yining , Dao Duy Quang , Mondal John 
Published: June 2024

AbstractThe energy sector has demonstrated significant enthusiasm for investigating post‐combustion CO2 capture, storage, and separation. However, the practical application of current porous adsorbents is impeded by challenges related to cost competitiveness, stability, and scalability. Intregation of heteroatoms in the porous organic polymers (POPs) dispense it more susceptible for CO2 adsorption to attenuate green house gases. In this regard, two hydroxy rich hypercrosslinked POPs, namely Ph/Tt‐POP have been developed by one‐pot condensation polymerization using a facile synthetic strategy. The high surface areas of both the Ph/Tt‐POP (1057 and 893 m2g−1, respectively), and the heteroatom functionality in the POP framework instigated us to explore our material for CO2 adsorption study. The CO2 uptake capacities in Ph/Tt‐POP are found to be 2.45 and 2.2 mmol g−1, at 273 K respectively. Further, in‐situ static 13C NMR experiment shows that CO2 molecules in Tt‐POP appear to be less mobile than those in Ph‐POP which probably due to the presence of triazine functional groups along with high abundant −OH groups in the Tt‐POP framework. An in‐depth study of the CO2 adsorption mechanism by density functional theory (DFT) calculations also shows that CO2 adsorption at the cages formed by two benzyl rings represents the most stable interaction and CO2 molecule is more favorably adsorbed on the Ph‐POP with the more negative interaction energies values compared to that of Tt‐POP. Further, Non‐covalent interaction (NCI) plot reveals that CO2 molecules adsorb more on the Ph‐POP than Tt‐POP, which can be explain by hydrogen bond formation in case of Tt‐POP repeating units turning aside CO2 molecule to interact with the Ph component. Overall, our present study reflects the comprising effects of surface area of the solid adsorbents as well as their functionality can be beneficial for developing efficient hypercrosslinked porous polymers as solid CO2 adsorbent.
Challenges in XPS Analysis of PEO‐LiTFSI‐based Solid Electrolytes: How to Overcome X‐ray‐Induced Photodecomposition
Authors: Yusim Yuriy , Moryson Yannik , Seipp Kevin , Sann Joachim , Henss Anja 
Published: June 2024

AbstractThe cycle life of poly(ethylene oxide) (PEO) batteries containing lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) is hindered by interfacial (electro)chemical electrolyte decomposition, a process traditionally examined via X‐ray photoelectron spectroscopy (XPS). Our research presents a critical examination of X‐ray induced photodecomposition, commonly misinterpreted as (electro)chemical electrolyte decomposition, in PEO‐LiTFSI systems and those with NCM cathodes. We provide novel insights into this X‐ray induced photodecomposition process and show that it is particularly pronounced when LiTFSI is dissolved and not in its pure state. Most importantly, we reveal that cryogenic measurement conditions can almost completely mitigate this photodecomposition. This insight not only deepens the understanding of photodecomposition within XPS analyses but also provides a transformative approach to the accurate characterization of electrolyte materials in lithium batteries.
Artificial intelligence to unlock real‐world evidence in clinical oncology: A primer on recent advances
Authors: Bryant Alex K. , Zamora‐Resendiz Rafael , Dai Xin , Morrow Destinee , Lin Yuewei , Jungles Kassidy M. , Rae James M. , Tate Akshay , Pearson Ashley N. , Jiang Ralph , Fritsche Lars , Lawrence Theodore S. , Zou Weiping , Schipper Matthew , Ramnath Nithya , Yoo Shinjae , Crivelli Silvia , Green Michael D. 
Published: June 2024

AbstractPurposeReal world evidence is crucial to understanding the diffusion of new oncologic therapies, monitoring cancer outcomes, and detecting unexpected toxicities. In practice, real world evidence is challenging to collect rapidly and comprehensively, often requiring expensive and time‐consuming manual case‐finding and annotation of clinical text. In this Review, we summarise recent developments in the use of artificial intelligence to collect and analyze real world evidence in oncology.MethodsWe performed a narrative review of the major current trends and recent literature in artificial intelligence applications in oncology.ResultsArtificial intelligence (AI) approaches are increasingly used to efficiently phenotype patients and tumors at large scale. These tools also may provide novel biological insights and improve risk prediction through multimodal integration of radiographic, pathological, and genomic datasets. Custom language processing pipelines and large language models hold great promise for clinical prediction and phenotyping.ConclusionsDespite rapid advances, continued progress in computation, generalizability, interpretability, and reliability as well as prospective validation are needed to integrate AI approaches into routine clinical care and real‐time monitoring of novel therapies.
The feasibility and acceptability of collecting psychosocial outcome measures embedded within a precision medicine trial for childhood cancer
Authors: Robertson Eden G. , Hetherington Kate , Daly Rebecca , Donoghoe Mark W. , Handelsman Nicholas , Ziegler David S. , Wakefield Claire E. 
Published: June 2024

AbstractBackgroundPatient‐reported outcomes measures (PROMs) are increasingly being collected within cancer clinical trials, yet limited literature on the feasibility and acceptability of doing so.MethodsWe collected parent‐proxy and adolescent (≥12 years old) PROMs through a longitudinal, psychosocial sub‐study (‘PRISM‐Impact’) embedded in a precision medicine trial for children with poor prognosis cancer (‘PRISM’). We report on feasibility (response, participation, and attrition rates; follow‐up and responding to elevated distress) and acceptability (parents’ perceived benefit/burden of participation; and impact on decision to participate in PRISM) of PRISM‐Impact.ResultsOver the reporting period, 462 families were eligible for PRISM‐Impact. Family and adolescent response rates were 53% and 45%, respectively. Parents whose child had relapsed were more likely to participate in PRISM‐Impact than parents whose child had not (p < 0.001). Parent and adolescent attrition rates were 30% and 56% respectively. We conducted 478 calls for intake and to follow‐up on missing questionnaires, and 122 calls to respond to elevated distress. Parents reported wanting to participate in PRISM‐Impact for altruistic reasons and because they valued psychosocial research. Parents reported little‐to‐no burden and some benefit from participating in PRISM‐Impact, with little change in ratings overtime. Most parents felt that participating in PRISM‐Impact did not impact their desire to participate in PRISM (72%), with some feeling more eager to participate (19%).ConclusionsPRISM‐Impact response rates were comparable to other psycho‐oncology studies, despite the poor prognosis population. Integration of PROMs within a paediatric oncology trial is acceptable to parents, and may provide a more comprehensive assessment of the impact of trial participation.
Landscape of potential germline pathogenic variants in select cancer susceptibility genes in patients with adult‐type ovarian granulosa cell tumors
Authors: Summey Rebekah M. , Gornstein Erica , Decker Brennan , Dougherty Kali C. , Rader Janet S. , Hopp Elizabeth 
Published: June 2024

AbstractObjectiveThe objective of this study was to assess the frequency of potential germline pathogenic variants that may contribute to risk of development of adult granulosa cell tumors (AGCT) given the paucity of germline testing guidelines for these patients.MethodsThis was a retrospective cross‐sectional study analyzing comprehensive genomic profiling (CGP) results of AGCT with the FOXL2 p.C134W mutation submitted to Foundation Medicine between 2012 and 2022. Cases with a potential germline pathogenic variant were identified by filtering single nucleotide variants and short indels by variant allele frequency (VAF) and presence in ClinVar for select cancer susceptibility genes. Odds ratios for AGCT risk were calculated compared to a healthy population.ResultsPrior to analysis, 595 patients were screened and 516 with a somatic FOXL2 p.C134W mutation were included. Potential germline pathogenic variants in a DNA repair‐related gene (ATM, BRCA1, BRCA2, CHEK2, PALB2, PMS2, RAD51C, or RAD51D) were found in 6.6% of FOXL2‐mutated AGCT. Potential germline pathogenic CHEK2 variants were found in 3.5% (18/516) of AGCT patients, a rate that was 2.8‐fold higher than Genome Aggregation Database non‐cancer subjects (95% CI 1.8–4.6, p < 0.001). The founder variants p.I157T (38.9%, 7/18) and p.T367fs*15 (c.1100delC; 27.8%, 5/18) were most commonly observed. CHEK2 VAF indicated frequent loss of the wildtype copy of the gene.ConclusionsThese results support ongoing utilization of genomic tumor profiling and confirmatory germline testing for potential germline pathogenic variants. Further prospective investigation into the biology of germline variants in this population is warranted.
Vinyl 3‐(Dimethylamino)propanoate as an Irreversible Acyl Donor Reagent in a Chromatography‐free Lipase‐Catalyzed Kinetic Resolution of sec‐Alcohols
Authors: Zdun Beata , Borowiecki Paweł 
Published: June 2024

AbstractThe reported chemoenzymatic strategy involves the employment of vinyl 3‐(dimethylamino)propanoate as an irreversible acyl donor in a chromatography‐free lipase‐catalyzed kinetic resolution (KR) of racemic sec‐alcohols. This biotransformation is achieved in a sequential manner using CAL‐B to affect the kinetic resolution, followed by a simple acidic extractive work‐up furnishing both KR products with excellent enantioselectivity (E>200; up to 98 % ee). The elaborated method eliminates a single‐use silica gel chromatographic separation and significantly reduces organic solvent consumption to foster a more environmentally friendly chemical industry.
Readmission after discharge from a medium secure service between 1999 and 2017: A retrospective cohort study
Authors: Hill Charlotte , Bagshaw Ruth , Watt Andrew 
Published: June 2024

AbstractBackgroundPrevious research into outcomes after treatment in medium secure psychiatric hospitals has mostly relied on pre‐millennium data.AimsTo examine patient and inpatient service‐related factors associated with readmission within 2 years following discharge to the community or open conditions from conditions of medium security.MethodsA retrospective cohort study of 137 patients discharged either to the community or to open conditions from one 64‐bed South Wales Regional Medium Secure Hospital Unit between July 1999 and November 2017 was completed using data from healthcare records to document demographics, diagnosis and nature of index offences together with researcher‐completed ratings of inpatient progress using the Dangerousness Understanding Recovery and Urgency Manual (DUNDRUM) Programme Completion and DUNDRUM Recovery scales. Binary logistic regression analyses were used to identify independent associations between inpatient progress according to these measures and readmission.ResultsForty‐three patients (31%) were readmitted within 2 years of discharge and 23 (17%) in breach of legal conditions on discharge. Most readmitted patients (n = 29, 67%) returned directly to medium secure care. There were significant binary level associations between readmission and severity of the index offences (lower), number of adverse childhood experiences (higher), history of drug misuse (more likely) and number of previous psychiatric admissions (higher). Binary logistic regression confirmed that these relationships were not independent. No inpatient service‐related variables, according to DUNDRUM scale scores, showed an independent association with readmission within 2 years post‐discharge.ConclusionsThe proportion of medium security hospital patients who were readmitted within 2 years of discharge aligns with estimates found in earlier national research using the same follow‐up period. Since levels of inpatient progress bore little if any relationship to longer term outcomes, our findings highlight the need for investigating factors in the discharge environment that are linked to readmission. It is possible that readmission may indicate effective monitoring and responsive care to the changing needs of patients, but a better understanding of this is essential.
Enantioselective Rh‐Catalyzed Hydroboration of Dialkyl Ketone‐Derived Silyl Enol Ethers
Authors: Liu Longqing , Zhao Jinbo , Dong Wenke , Zhao Wanxiang 
Published: June 2024

AbstractA Rh‐catalyzed asymmetric hydroboration of dialkyl ketone‐derived silyl enol ethers with HBpin has been developed using a commercially available catalyst and ligand ([RhCl (cod)]2 and MeO‐BIBOP). A variety of silyl enol ethers undergo this asymmetric transformation, providing the corresponding products with high enantioselectivity (up to 97 : 3 % er). In addition, the utility of this protocol is demonstrated by the versatile transformation of chiral borylether products to a range of valuable derivatives.
One‐Pot Hydrothermal‐Derived rGO/MXene/Sulfur Composite Aerogels as Free‐Standing Cathodes in Lithium‐Sulfur Batteries
Authors: Liu Jingbin , Lin Shan , Nie Tao , Li Zhuyao , Na Bing , Zou Shufen , Liu Hesheng 
Published: June 2024

AbstractThe confinement and high utilization of sulfur in the cathodes is critical for improved cycling performance of lithium‐sulfur batteries. In this case one‐pot hydrothermal strategy is developed to produce rGO/MXene/sulfur composite aerogels where sulfur is in situ trapped in the 3D rGO/MXene conductive skeleton. The optimized composite aerogels as free‐standing cathodes delivery a specific capacity of 951 mAhg−1 after 100 cycles at 0.2 C with a low fading rate of 0.062 % per cycle. The excellent cycling performance is correlated with highly oxidized MXene and in situ formed sulfate/thiosulfate complex layer in the long‐term cycles.
Localized Surface Plasmon Resonance in Ag‐In‐Te Based Quantum Dots and Core/Shell Nanocrystals
Authors: Bhattacharya Debadrita , Debnath Tushar 
Published: June 2024

AbstractLocalized surface plasmon resonance (LSPR) in plasmonic nanomaterials can concentrate light in the nano‐dimension, leading to an enhancement of the light intensity by order of magnitude. While LSPR is a subject of extensive research in chalcogenide semiconductor nanocrystals (NCs), research on tellurium multinary chalcogenides (MnCs) remains elusive, possibly due to non‐availability of the corresponding quantum dots (QDs). In this report, we show the sequential switching of plasmonic to non‐plasmonic properties during the colloidal synthesis of AgInTe2 QDs. The reaction passes through several intermediates including AgInTe2/AgIn5Te8 core/shell NCs, AgInTe2 microrods (MRs), AgInTe2 QDs, and finally AgInTe2 quantum dot chain (QDC). Here, the AgInTe2/AgIn5Te8 core/shell NCs and AgInTe2 QDs depict strong LSPR absorption in the visible‐NIR region until ~2000 nm. We propose that small‐size quantum confined and cation deficient AgInTe2 particles are responsible for the observation of LSPR modes in both cases due to presence of the free carriers (holes). Our work on developing Te‐based plasmonic MnC QDs may find significant advancement in the nanoscale light‐matter interaction in semiconductor research.
Biomass allocation and carbon storage in the major cereal crops: A meta‐analysis
Authors: Ngidi Asande , Shimelis Hussein , Chaplot Vincent , Shamuyarira Kwame , Figlan Sandiswa 
Published: June 2024

AbstractCrop biomass is the reservoir of carbon (C), a valuable input to the soil, thus supporting the soil fauna and enhancing soil health. There are limited studies that compared the major cereal crops for C storage for regenerative agriculture and to optimize C sequestration strategies. The objective of this study was to quantify the extent of variation in biomass allocation and C storage between maize (Zea mays L.), sorghum (Sorghum bicolor [L.] Moench), and wheat (Triticum aestivum L.) for crop production, and C sequestration potential. The study used metadata from 40 global studies that reported on the allocation of plant biomass and C between roots and shoots of the major cereal crops. Key statistics were computed to determine the variability between genotypes for total plant biomass (Pb), shoot biomass (Sb), root biomass (Rb), root‐to‐shoot biomass ratio (Rb/Sb), total plant carbon content, shoot carbon content, root carbon content, total plant carbon stock (PCs), shoot carbon stock, root carbon stock, and root‐to‐shoot carbon stock ratio (RCs/SCs). Maize exhibited the highest variability for Pb (with a coefficient of variation [CV] of 31.2% and a mean of 4.2 ± 1.3 Mg ha−1 year−1), followed by wheat (CV of 24.2% and a mean of 1.5 ± 0.4 Mg ha−1 year−1) and sorghum (CV of 16.8% and a mean of 2.0 ± 0.8 Mg ha−1 year−1), respectively. A similar trend was observed for PCs, with maize (CV of 40.1% and mean of 1.6 ± 0.7 Mg ha−1 year−1) showing the highest total plant C stock variability, followed by wheat (24.4% and 0.2 ± 0.1 Mg ha−1 year−1) and sorghum (16.3% and 0.9 ± 0.3 Mg ha−1 year−1), respectively. Maize (with a CV of 24.4% and mean of 0.1 ± 0.03 Mg ha−1 year−1) exhibited the highest variability for Rb/Sb, while wheat (30.92% and 0.2 ± 0.05 Mg ha−1 year−1) exhibited the highest variability for RCs/SCs. Correlation analysis revealed the following significant associations: Pb and mean annual temperature (MAT) (r = −0.47), and Sb and MAT (r = −0.43), and Pb and mean annual precipitation (MAP) (r = −0.34), and Sb and MAP (r = −0.30). Rb had a strong, significant positive correlation with MAT (r = 0.72) and MAP (r = 0.85). The meta‐analysis revealed that maize and sorghum have the highest variability for Pb and plant carbon stocks, while wheat exhibited the highest variability for the below‐ground biomass and carbon stocks. The data aided in crop selection and suggested that the best cultivars could be developed and identified for production and C sequestration potential for cultivation by farmers, land rehabilitation, and climate change mitigation.
Unlocking High Capacity and Reversible Alkaline Iron Redox Using Silicate‐Sodium Hydroxide Hybrid Electrolytes
Authors: Jagadeesan Sathya Narayanan , Guo Fenghua , Pidathala Ranga Teja , Abeykoon A. M. Milinda , Kwon Gihan , Olds Daniel , Narayanan Badri , Teng Xiaowei 
Published: June 2024

AbstractAlkaline iron (Fe) batteries are attractive due to the high abundance, low cost, and multiple valent states of Fe but show limited columbic efficiency and storage capacity when forming electrochemically inert Fe3O4 on discharging and parasitic H2 on charging. Herein, sodium silicate is found to promote Fe(OH)2/FeOOH against Fe(OH)2/Fe3O4 conversions. Electrochemical experiments, operando X‐ray characterization, and atomistic simulations reveal that improved Fe(OH)2/FeOOH conversion originates from (i) strong interaction between sodium silicate and iron oxide and (ii) silicate‐induced strengthening of hydrogen‐bond networks in electrolytes that inhibits water transport. Furthermore, the silicate additive suppresses hydrogen evolution by impairing energetics of water dissociation and hydroxyl de‐sorption on iron surfaces. This new silicate‐assisted redox chemistry mitigates H2 and Fe3O4 formation, improving storage capacity (199 mAh g−1 in half‐cells) and coulombic efficiency (94 % after 400 full‐cell cycles), paving a path to realizing green battery systems built from earth‐abundant materials.