bluuebunny/crossref_metadata_2025_split huggingface dataset:
Concentrated Lithium Dodecyl Sulfate Aqueous Electrolytes: Utilizing Self‐Assembly and Interfacial Adsorption for Aqueous Li‐ion Batteries
Authors: Kondou Shinji , Morinaga Asuka , Hashimoto Kei , Katayama Yu , Dokko Kaoru , Watanabe Masayoshi , Ueno Kazuhide 
Published: September 2022

AbstractSince aqueous lithium‐ion batteries (LIBs) were first proposed, electrolyte design has been intensively studied. We report a simple anionic surfactant, i. e., a lithium dodecyl sulfate (LiDS)‐based aqueous electrolyte, capable of enhancing the Li ion transport properties in the bulk and protecting the electrode at the interface. The self‐assembly of DS anions into micelles effectively limited anion diffusion, enabling nearly single Li‐ion conduction in the bulk electrolyte. The interfacial adsorption of DS molecules formed a hydrophobic layer at the electrolyte/electrode interface under the electric field of the electric double layer, excluding water molecules from the interface. Consequently, the electrochemical window of the aqueous electrolyte was expanded to 3.0 V. This electrolyte improved the cycle performance and rate capability of the LiFePO4/LiTi2(PO4)3full‐cell compared to a 1.0 mol dm−3Li2SO4/H2O reference electrolyte. These results provide a new twist in the design of liquid electrolytes for aqueous LIBs.
Inducing Propeller Chirality in Triaryl Boranes with Chiral Amines
Authors: Kemper Michael , Reese Sven , Engelage Elric , Merten Christian 
Published: September 2022

AbstractStabilization of chiral propeller conformations in triaryl compounds is challenging due to generally low racemization barriers. Nonetheless, it was recently found that chiral conformational preferences can be induced to triaryl boranes by incorporating point‐chiral alkylether chains to the aryl blades and subsequently locking the structure with ammonia. A four‐point interaction, meaning that the cooperative effects of Lewis‐adduct formation and three hydrogen bonds, was proposed as stabilizing mechanism. Herein, it was shown that three such strong interactions suffice to introduce a preferential propeller handedness. Although DFT calculations predict no noteworthy preferences for either P‐ or M‐chiral propellers for some of the investigated triarylborane–amine adducts that were prepared with chiral primary amines, vibrational circular dichroism (VCD) spectroscopic characterizations revealed that there is indeed a measurable excess of one propeller handedness. Furthermore, the steric demand of the amine was found to play a key role in the induction process and especially in preventing blade rotations.
Ce cooperated layered double oxide with enhanced base sites activity for the synthesis of polycarbonate diols
Authors: Zhao Kaiyan , Tantai Xiaowei , Sun Yongli , Zhang Luhong , Jiang Bin , Yang Na 
Published: September 2022

AbstractThe development of highly efficient alkaline catalysts with abundant base sites is of paramount importance for the synthesis of polycarbonate diols (PCDLs). And the application of heterogeneous catalysts is an effective strategy to address the effect of residual catalysts on the quality of PCDLs. Here, Ce cooperated layered double oxide (LDO‐Ce) was used as a catalyst for the preparation of PCDLs via transesterification between dimethyl carbonate (DMC) and 1,4‐butanediol (BDO). CO2 temperature‐programmed desorption (CO2‐TPD) profiles demonstrated that the introduction of Ce led to an increase in strong base sites of LDO‐Ce, thus endowing LDO‐Ce with excellent catalytic performance. Besides, LDO‐Ce possessed satisfactory specific surface area and pore size. A possible catalytic mechanism was proposed to illustrate the transesterification process. The effects of the reaction conditions on the hydroxyl value, yield, and BDO conversion were further investigated in detail. The yield of PCDLs with a hydroxyl value of 112.2 mg KOH/g (corresponding to a number average molecular weight [Mn] of 1000 g/mol) was 92.44% under its optimum reaction conditions (w (catalyst) = 0.5%, n(DMC)/n(BDO) = 1.25, T‐transesterification = 130°C, t‐transesterification = 5 h, T‐polycondensation = 170°C, t‐polycondensation = 4 h, P‐polycondensation = 10 kPa). Moreover, LDO‐Ce was easily removed after the transesterification process (Step 1), ensuring the quality of PCDLs, and it was recycled three times without significant loss of catalytic activity.
Optimization of N‐Piperidinyl‐Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8‐Oxo‐Guanine DNA Glycosylase 1
Authors: Wallner Olov , Cázares‐Körner Armando , Scaletti Emma Rose , Masuyer Geoffrey , Bekkhus Tove , Visnes Torkild , Mamonov Kirill , Ortis Florian , Lundbäck Thomas , Volkova Maria , Koolmeister Tobias , Wiita Elisée , Loseva Olga , Pandey Monica , Homan Evert , Benítez‐Buelga Carlos , Davies Jonathan , Scobie Martin , Warpman Berglund Ulrika , Kalderén Christina , Stenmark Pål , Helleday Thomas , Michel Maurice 
Published: September 2022

Abstract8‐oxo Guanine DNA Glycosylase 1 is the initiating enzyme within base excision repair and removes oxidized guanines from damaged DNA. Since unrepaired 8‐oxoG could lead to G : C→T : A transversion, base removal is of utmost importance for cells to ensure genomic integrity. For cells with elevated levels of reactive oxygen species this dependency is further increased. In the past we and others have validated OGG1 as a target for inhibitors to treat cancer and inflammation. Here, we present the optimization campaign that led to the broadly used tool compound TH5487. Based on results from a small molecule screening campaign, we performed hit to lead expansion and arrived at potent and selective substituted N‐piperidinyl‐benzimidazolones. Using X‐ray crystallography data, we describe the surprising binding mode of the most potent member of the class, TH8535. Here, the N‐Piperidinyl‐linker adopts a chair instead of a boat conformation which was found for weaker analogues. We further demonstrate cellular target engagement and efficacy of TH8535 against a number of cancer cell lines.
Is repeat breast conservation possible for small ipsilateral breast cancer recurrence?
Authors: Li Yong , Li Wei‐wen , Yuan Lin , Xu Bo 
Published: September 2022

BackgroundMost cases of ipsilateral breast tumor recurrence (IBTR) after breast‐conserving surgery (BCS) involve small tumors. Although a few guidelines recommend mastectomy, several patients prefer repeat BCS (re‐BCS). This study aimed to compare re‐BCS and mastectomy in terms of prognosis in patients with IBTR and to identify candidates for re‐BCS.MethodsThe data of patients with small IBTR between 1999 and 2015 were obtained from the Surveillance, Epidemiology, and End Results database. The outcomes of interest were overall survival (OS) and breast cancer–specific survival (BCSS). Multivariable Cox proportional hazards regression models and propensity score matching were applied.ResultsOf the 3648 patients with IBTR, 2831 (77.6%) underwent mastectomy and 817 (22.4%) underwent re‐BCS. The multivariate Cox model showed that re‐BCS was associated with a worse OS (hazard ratio [HR], 1.342; 95% confidence interval [CI], 1.084–1.663) and BCSS (HR, 1.454; 95% CI, 1.004–2.105) compared with mastectomy. The omission of radiation after re‐BCS was associated with worse survival overall and especially in patients with estrogen receptor (ER)‐negative IBTR (HR, 1.384; 95% CI, 1.110–1.724; and HR, 1.577; 95% CI, 1.075–2.314, respectively). No statistically significant differences were observed in the OS and BCSS between re‐BCS with radiation and mastectomy. Subgroup analysis indicated that the surgical approach was not an independent factor for survival in the ER‐positive patients with IBTR.ConclusionsRe‐BCS should be considered with caution in patients with small IBTR. However, a positive ER status can be an important factor for choosing re‐BCS, and radiation therapy may improve oncological safety after re‐BCS.Lay summary

Repeat breast‐conserving surgery (re‐BCS) was investigated to determine if it is safe for patients with small ipsilateral breast tumor recurrence (IBTR) after breast‐conserving surgery (BCS).
This population‐based cohort study included 2831 patients with small IBTR. Re‐BCS was associated with a worse overall survival and breast cancer–specific survival compared with mastectomy.
Further analysis found that the IBTR estrogen receptor status was an important basis for choosing re‐BCS, and radiation may improve oncological safety after re‐BCS.
Heterostructure Induced S p‐Band Center Shift for Activating 1T‐MoS2 Basal Plane towards Hydrogen Evolution Reaction
Authors: Wang Kaiwen , Xu Shaonan , Yu Kaifeng , Liu Zhipeng , Yuan Shisheng , Xiang Lijuan , Zhang Yuanhao , Li Nan 
Published: September 2022

AbstractDespite the benefits of metallic conductivity and highly active edge Mo sites of 1T phase molybdenum disulfide (1T‐MoS2) as an electrocatalyst, its overall catalytic efficiency for hydrogen evolution reaction (HER) is still limited by the less active S sites on the basal plane with a considerable positive ΔGH*. As a result, activating the basal plane S atoms is a viable solution for increasing catalytic activity. In this work, we modulated the electronic structure of 1T‐MoS2 by constructing a heterostructure with CoS2 nanoparticles deposited on the 1T‐MoS2 basal plane. This heterostructure demonstrated excellent HER activity as well as robust stability. Theoretical calculations indicate that the bridge S atoms connecting 1T‐MoS2 and CoS2 have an up‐shifted p‐band center relative to the S atoms on the basal plane, so the ΔGH* of the bridge S atoms is optimized to thermal neutrality and the 1T‐MoS2 basal plane is activated with enhanced hydrogen evolution activity. This work provides a novel strategy for activating the basal plane S atoms of 1T‐MoS2.
Activation and Conversion of Molecular Nitrogen to the Precursor of Ammonia on Silicon Substituted Cyclo[18]Carbon: a DFT Design
Authors: Sen Sobitri , Bag Arijit , Pal Sourav 
Published: September 2022

AbstractRecent synthesis of sp‐hybridized cyclo[18]carbon allotrope has attracted immense curiosity. Since then, a generous amount of theoretical studies concerning aromaticity, adsorption, and spectra of the molecule have been performed. However, very few stuides have been carried out concerning its reactivities and catalytic behaviour. In this article, a DFT‐based inquisition has been reported regarding the reactivity of Si substituted cyclo[18]carbon molecule towards molecular N2. Results show that the Si substituted derivative is effective in producing adducts with molecular nitrogen. Charge calculations and IRC trapping methods indicate that only the Si center of C17Si and its (HOMO‐1) level participate in N2 addition. The N‐adduct so formed, is then found to spontaneously react with molecular H2. The addition of two H2 molecules to the activated nitrogen molecule to give respective amine derivatives have also been studied. The successful generation of the precursor of NH3 by C17Si lays a clear emphasis on its potentiality.
Plasmid‐Based Donor Templates for Nonviral CRISPR/Cas9‐Mediated Gene Knock‐In in Human T Cells
Authors: Senger Kate , Akhmetzyanova Ilseyar , Haley Benjamin , Rutz Sascha , Oh Soyoung A. 
Published: September 2022

AbstractEffective and precise gene editing of T lymphocytes is critical for advancing the understanding of T cell biology and the development of next‐generation cellular therapies. Although methods for effective CRISPR/Cas9‐mediated gene knock‐out in primary human T cells have been developed, complementary techniques for nonviral gene knock‐in can be cumbersome and inefficient. Here, we report a simple and efficient method for nonviral CRISPR/Cas9‐based gene knock‐in utilizing plasmid‐based donor DNA templates. © 2022 Wiley Periodicals LLC.Basic Protocol 1: Purification of human CD4+ or CD8+ T cells from bloodBasic Protocol 2: Activation of purified CD4+ or CD8+ T cells using TransAct CD3/CD28 agonist‐conjugated nanomatrixBasic Protocol 3: Preparation of Cas9/sgRNA RNPsBasic Protocol 4: Transfection of CAS9‐RNP and knock‐in template into human T cellsSupport Protocol 1: Purity check following magnetic T cell isolationSupport Protocol 2: Dextramer staining of TCR‐edited T cellsSupport Protocol 3: Functional characterization of TCR knock‐in T cellsSupport Protocol 4: Detection of knock‐in reporter activity in CRISPR/CAS9‐edited T cells
Impact of global warming on weight in patients with heart failure during the 2019 heatwave in France
Authors: Roubille François , Matzner‐Lober Eric , Aguilhon Sylvain , Rene Max , Lecourt Laurent , Galinier Michel , Ricci Jean‐Etienne , Molinari Nicolas 
Published: September 2022

AbstractHeatwaves affect human health and should be more and more frequent because of global warming and could lead to increase mortality in general population, especially regarding cardiovascular mortality. During the summer 2019, Europe experienced a strong episode of heatwave. Telemonitoring of patients with heart failure (HF) provide an elegant tool to monitor closely the weights, and we assumed to be able to assess our hypothesis through a nationwide telemonitoring system. Here, we hypothesize that (i) there will be a change in patients' weight during the heatwave and (ii) that the telemonitoring would enable us to follow these changes. The change in weight would be a surrogate for clinical worsening (with or without decompensated HF). Briefly, 1420 patients with a median age of 73.0 years and mean weight of 78.1 kg have been included in this analysis. The relationship between temperature and weight is very strong (P < 10−7). The magnitude of the effect seems clinically relevant with a variation of 1.5 kg during a short period. This could expose patients to increased symptoms, HF decompensations, and poor outcomes. These results suggest a new way to implement weight telemonitoring in HF. This suggests also a direct impact of global warming on Human health, with acute episodes that are expected to occur more often, threatening patients with chronic diseases, especially patients with heart failure. In clinical practice, this urges to take into consideration the episodes of extreme heatwave and suggest that we have already useful tools including telemonitoring available in frail patients.
Numerical investigation of mixed convection and entropy production of nanofluid flow in a corrugated channel using a two‐phase mixture model
Authors: Mezaache Abderrahmane , Louhichi Khaled , Bessaïh Rachid 
Published: September 2022

AbstractThe two‐dimensional mixed convection in a horizontal sinusoidal corrugated channel (CC) is investigated. The two‐phase mixture model (2PMM) is implemented in Ansys Fluent software to simulate the nanofluid (NF) flow. The mathematical formulation of the 2PMM shows the limitation of the single‐phase mixture model linked to the absence of the slip particle‐fluid velocity and, consequently, the parameters that depend on this factor, particularly the diffusion and the drag coefficients. The laminar mixed convection regime is studied, where the NF copper–water is considered under a uniform temperature wall. The simulation results agree with three published works on mixed laminar convection and forced laminar convection in horizontal CC. The effects of nanoparticles volume fraction (ϕ), Richardson number (Ri), wavelength (λ), and wave amplitude (α) are investigated. The results showed that for a mixed flow, the improvement of heat transfer in a horizontal CC could essentially be obtained for a low Ri, where for a given λ, the submits an apparent increase with the increase of λ, that is, for Ri = 0.05 (λ = 3, α = 0.3, ϕ = 3%), the enhancement is 29.7% for and 128.5% for average entropy production compared to the smooth channel. The effect of ϕ on or is weakly dependent on Ri. The use of a Cu–water NF with a volume fraction of 5% (α = 0.2, λ = 2) leads to an increase in the of 17.6% for Ri = 0.05 and 16.4% for Ri = 10 compared to conventional water fluid.
Prevention of pre‐eclampsia with aspirin: A systematic review of guidelines and evaluation of the quality of recommendation evidence
Authors: Ninan Kiran , Ali Rifaa , Morfaw Frederick , McDonald Sarah D. 
Published: September 2022

AbstractBackgroundEvidence has shown significant benefits of aspirin for preventing pre‐eclampsia.ObjectivesThe objective of this study was to systematically review recommendations from clinical practice guidelines and other recommendation documents on aspirin for the prevention of pre‐eclampsia.Search strategyTen databases were searched for statements from December 1, 2013, to January 1, 2022.Selection criteriaWithout language restrictions, the most recent version of documents was considered.Data collection and analysisTwo authors independently extracted recommendations. Guideline quality was assessed using a modified AGREE‐II instrument and the AGREE‐REX tool.Main resultsOut of 48 statements on the prevention of pre‐eclampsia, 46 had recommendations on use of aspirin. Of them, 39 were supported by evidence from systematic reviews or randomized controlled trials. Three statements reported aspirin's significant reductions in preterm pre‐eclampsia and one in perinatal death. Concerning quality, 41% of statements were rated as high quality in all domains of the AGREE‐II tool, 15% were rated high quality in all domains of the AGREE‐REX tool, and 11% were rated high quality in all domains on both tools.ConclusionsWhile 96% of statements advocated for use of aspirin, only 9% reported a significant reduction in preterm pre‐eclampsia or perinatal death. Based on the AGREE tools, future statements could use methodological improvement.
Cover Image
Authors: Baba Hiromi , Urano Ryo , Nagai Tetsuro , Okazaki Susumu 
Published: September 2022

The cover image is based on the Research Article Prediction of self‐diffusion coefficients of chemically diverse pure liquids by all‐atom molecular dynamics simulations by Hiromi Baba et al., https://doi.org/10.1002/jcc.26975image
Bacteriophages pass through candle‐shaped porous ceramic filters: Application for the collection of viruses in soil water
Authors: Florent Perrine , Cauchie Henry‐Michel , Herold Malte , Ogorzaly Leslie 
Published: September 2022

AbstractDespite the ubiquity of viruses in soils, their diversity in soil water has not been explored, mainly due to the difficulty of collecting them. In hydrology, soil water is usually collected using porous candles. This study proposes using these porous candles as a new tool for sampling viruses in soil water to analyze their passage through the ceramic part of the candles. The recovery of the viruses was determined after filtration under laboratory conditions using three model bacteriophages (MS2, ΦX174, and Φ6) and Escherichia coli, at neutral and acidic pH. Then, a field experiment was carried out where soil water filtration and viral identification by metagenomic shotgun were performed. At neutral pH, all bacteriophages tested successfully passed through the porous candles during the filtration process, with reductions of 0.02 log, 0.16 log, and 0.55 log for MS2 ΦX174 and Φ6, respectively. At pH 4.4, the passage of MS2 was not affected while ΦX174 underwent a slight reduction in recovery, probably caused by adsorption onto the filter material. Regarding the application of the porous candles in the field, the results obtained allowed the successful recovery of viruses, exposing porous candles as a new method suitable for the collection of viruses from soil water in the context of the study of viral communities.
A familial case of B‐cell expansion with NF‐κB and T‐cell anergy caused by a G123D heterozygous missense mutation in the CARD11 gene
Authors: Takase Yusuke , Tanioka Shinji , Ishimura Masataka , Yoshiura Koh‐ichiro , Mori Yasuo , Sakaida Emiko , Funakoshi Yasutomo , Moriuchi Hiroyuki 
Published: September 2022

AbstractB‐cell expansion with NF‐κB (nuclear factor‐kappa B) and T‐cell anergy (BENTA) is a rare congenital lymphoproliferative disorder caused by germline gain‐of‐function mutations in the CARD11 gene. We herein report a familial case of BENTA due to a G123D heterozygous missense mutation in CARD11 inherited by a male from his mother. The mother's clinical course was characterized by polyarthritis and encephalitis in young adulthood, suggesting that autoimmune‐like manifestations can occur in BENTA. The B‐cell lymphocytosis and splenomegaly seen in her child have been managed with prednisolone and tacrolimus. Further investigations are needed to evaluate the efficacy of calcineurin inhibitors for BENTA.
Amsacrine combined with etoposide and methylprednisolone is a feasible and safe component in first‐line intensified treatment of pediatric patients with high‐risk acute lymphoblastic leukemia in CoALL08‐09 trial
Authors: Mezger Kerstin , Ebert Sabine , Muhle Hannah Elisa , Stadt Udo zur , Borkhardt Arndt , Dilloo Dagmar , Faber Jörg , Feuchtinger Tobias , Imschweiler Thomas , Jorch Norbert , Pekrun Arnulf , Schmid Irene , Schramm Franziska , Zimmermann Martin , Horstmann Martin A , Escherich Gabriele 
Published: September 2022

AbstractBackgroundThe prognosis of children with acute lymphoblastic leukemia (ALL) has improved considerably over the past five decades. However, to achieve cure in patients with refractory or relapsed disease, novel treatment options are necessary.MethodsIn the multicenter trial Cooperative Study Group for Childhood Acute Lymphoblastic Leukemia (CoALL)08‐09, one additional treatment element consisting of the rarely used chemotherapeutic agent amsacrine combined with etoposide and methylprednisolone (AEP) (amsacrine 2 × 100 mg/m2, etoposide 2 × 500 mg/m2, and methylprednisolone 4 × 1000 mg/m2) was incorporated into the first‐line treatment of pediatric patients with poor treatment responses at the end of induction (EOI), measured by minimal residual disease (MRD). These patients were stratified into a high‐risk intensified arm (HR‐I), including an AEP element at the end of consolidation. Patients with induction failure (IF), that is, with lack of cytomorphological remission EOI, were eligible for hematopoietic stem cell transplantation (HSCT) after remission had been reached. These patients received AEP as a part of their MRD‐guided bridging‐to‐transplant treatments.ResultsA significant improvement in probability of overall survival (pOS) was noted for the CoALL08‐09 HR‐I patients compared to MRD‐matched patients from the preceding CoALL07‐03 trial in the absence of severe or persistent treatment‐related toxicities. Relapse rate and probability of event‐free survival (pEFS) did not differ significantly between trials. In patients with IF, stable or improved MRD responses after AEP were observed without severe or persistent treatment‐related toxicities.ConclusionIn conclusion, AEP is well tolerated as a component of the HR treatment and is useful in bridging‐to‐transplant settings.