bluuebunny/crossref_metadata_2025_split huggingface dataset:
Amorphous Boron Nitride Nanosheet‐Based Solid State Electrolytes with High Ionic Conductivity
Authors: Fang Yue , Yan Yeba , Wang Xinying , Zhang Zhihong , Tian Libin , Lu Shengguo , Liang Bo , Yao Yingbang , Tan Daniel Q. , Huang Shaoming , Tao Tao 
Published: May 2024

AbstractAmorphous boron nitride nanosheets, with natural electrical insulation, outstanding chemical stability and mechanical properties, are introduced as a matrix to be incorporated with lithium bis (trifluoromethanesulfonyl) imide (LiTFSI) and polymer polyvinylidene fluoride‐hexafluoropropylene copolymer (PVDF‐HFP), for constructing a novel composite solid‐state electrolyte by a simple solution‐casting method. Amorphous boron nitride nanosheets are produced via a combination method of ball milling and pure water exfoliation. The obtained composite solid‐state electrolyte containing 40 % (mass fraction) PVDF‐HFP shows a high lithium ion conductivity (1.936×10−3 S cm−1) and lithium ion transference number (0.47), and a wide electrochemical stability window (5 V) at room temperature. The LiFePO4/Li based all solid‐state battery, consisting of the composite solid electrolyte (40 % PVDF‐HFP), delivers a capacity of 128.1 mAh g−1, a Coulombic efficiency of 99.79 % after 500 cycles and a capacity retention rate of 94.5 % at 1.0 C and 25 °C. The composite solid electrolyte (40 % PVDF‐HFP) can maintain flat and stable stripping/plating plateaus for over 800 hours in symmetrical cells. The amorphous boron nitride nanosheets with high lithium ion conductivity are employed to construct solid‐state electrolytes, which is important significant for the development of high energy density, high safety, and long cycle life all‐solid‐state lithium‐ion batteries.
Effect of UV‐ozone treatment for KCl interlayer in perovskite solar cells
Authors: Jo Na‐Yeon , Hong Yun‐Kyeong , Yang Sanghee , Kim Hui‐Seon 
Published: May 2024

AbstractThe performance of perovskite solar cells (PSCs) is significantly governed by the interface of perovskite layer. Therefore, a great deal of attention has been paid to the interface engineering of perovskite layer to improve the performance of PSC. In the meantime, KCl is one of the popular molecules being utilized for the interface treatment between SnO2 and perovskite. In this study, we investigate the effect of UV‐ozone (UVO) treatment of KCl interlayer on the photovoltaic performance. A device employing UVO‐treated KCl shows a higher power conversion efficiency mainly based on an increased open‐circuit voltage (VOC). Ultraviolet photoelectron spectroscopy analysis indicates that the UVO treatment induces a rearrangement of energy level at the interface, being responsible for the increase in VOC. Accordingly, an increased charge recombination resistance is evidenced by impedance spectroscopy owing to the inhibited recombination at the SnO2 and perovskite interface by the aid of the aligned energy level.
Hydrogels in the clinic: An update
Authors: Clegg John R. , Adebowale Kolade , Zhao Zongmin , Mitragotri Samir 
Published: May 2024

AbstractHydrogels have been used in the clinic since the late 1980s with broad applications in drug delivery, cosmetics, tissue regeneration, among many other areas. The past three decades have witnessed rapid advances in the fields of polymer chemistry, crosslinking approaches, and hydrogel fabrication methods, which have collectively brought many new hydrogel products, either injectable or non‐injectable, to clinical studies. In an article published in 2020 entitled “Hydrogels in the clinic”, we reviewed the clinical landscape and translational challenges of injectable hydrogels. Here, we provide an update on the advances in the field and also extend the scope to include non‐injectable hydrogels. We highlight recently approved hydrogel products, provide an update on the clinical trials of injectable hydrogels, and discuss active clinical trials of topically applied and implantable hydrogels.
Toripalimab plus chemotherapy in American patients with recurrent or metastatic nasopharyngeal carcinoma: A cost‐effectiveness analysis
Authors: Lian Dai , Gan Yuling , Xiao Dunming , Xuan Dennis , Chen Yingyao , Yang Yi 
Published: May 2024

AbstractBackgroundToripalimab, combined with gemcitabine and cisplatin, has been approved as the first‐line treatment for recurrent or metastatic nasopharyngeal carcinoma (RM‐NPC), representing a significant milestone as the first FDA‐approved innovative therapy for this condition. Despite this achievement, there's a lack of data on the cost‐effectiveness of toripalimab for RM‐NPC patients in the American context.MethodsTo assess the cost‐effectiveness of toripalimab plus chemotherapy versus chemotherapy alone, a 3‐state partitioned survival model was constructed. The study involved participants with characteristics matching those in the JUPITER‐02 trial. Cost and utility inputs were collected from literature. Main outcomes measured were quality‐adjusted life year (QALY), and incremental cost‐effectiveness ratio (ICER). Univariate and probabilistic sensitivity analyses, subgroup analyses, and scenario analyses were conducted to verify the robustness of results.ResultsThe study found that the toripalimab regimen resulted in 4.390 QALYs at a cost of $361,813, while the chemotherapy‐only regimen yielded 1.685 QALYs at a cost of $161,632. This translates to an ICER of $74,004/QALY, below the willingness‐to‐pay threshold of $150,000/QALY. Sensitivity analyses indicated that utility values, discount rate, and the price of toripalimab significantly impact INMB. With an 87.10% probability of being cost‐effective at a $150,000/QALY threshold, the probabilistic sensitivity analysis supports toripalimab plus chemotherapy as a viable option. Scenario analysis showed that toripalimab remains cost‐effective unless its price increases by 125%. Additionally, a simulated 15‐year study period increases the ICER to $88,026/QALY. Subgroup analysis revealed ICERs of $76,538/QALY for PD‐L1 positive and $70,158/QALY for PD‐L1 negative groups.ConclusionsToripalimab in combination with chemotherapy is likely to be a cost‐effective alternative to standard chemotherapy for American patients with RM‐NPC. This evidence can guide clinical and reimbursement decision‐making in treating RM‐NPC patients.
Treosulfan is a safe and effective alternative to busulfan for conditioning in adult allogeneic HSCT patients: Data from a single center
Authors: Uzay Ant , Gündoğdu Yasemin , Koşan Barış , Yetiş Tuğba , Kartı S. Sami 
Published: May 2024

AbstractIntroductionType of conditioning regimen impacts the outcome of patients who undergo allogeneic HSCT since graft versus host disease (GVHD), infections, regimen related toxicities (RRT) are important causes of post‐transplant mortality. Despite the RRT profile of busulfan, it is frequently used worldwide. Treosulfan has advantages in terms of dose of administration, lower incidence of sinusoidal obstruction syndrome and lower neurotoxicity. We retrospectively investigated outcomes of patients who underwent allogeneic HSCT with treosulfan or busulfan based conditioning regimens in our institution.MethodsTreosulfan was administered to 94 patients while 85 patients received busulfan. Our outcomes were RRT, chronic and acute GVHD, relapse related mortality (RRM), non‐relapse mortality, and fungal infection. The clinical follow up data, regarding the primary and secondary endpoints of our study, of the patients who received treosulfan or busulfan based conditioning regimens were statistically analyzed.ResultsThe median follow‐up was 14 months for the treosulfan group while it was 11 months for the busulfan group (p = 0.16). RRT was 11.7% and 7.1% for treosulfan and busulfan respectively. The incidence of extensive chronic GVHD was less frequent in the treosulfan group compared to the busulfan group (15.7% vs. 32.1%) (p < 0.001). The incidence of acute GVHD (Grade 3 or higher) was 32.2% in the treosulfan group while it was 31.6% in the busulfan group. The RRM was 17% in the treosulfan group while it was 34% in the busulfan group. The non‐relapse mortality was 35.5% and 29.4% in the treosulfan group and in the busulfan group respectively (p = 0.962).ConclusionTreosulfan, with a lower RRM, lower chronic GVHD incidence and with a similar RRT profile appears to be a safe alternative to busulfan.
From the Design of Innovative Ti‐Pt Heterometallic Complexes to the Development of Highly Anti‐Proliferative Water‐Soluble Cationic Titanocenes
Authors: Trommenschlager Audrey , Mabrouk Nesrine , Racoeur Cindy , Godard Amélie , Balan Cédric , Dubrez Laurence , Bettaïeb Ali , Husson Jérôme , Le Gendre Pierre , Paul Catherine , Bodio Ewen 
Published: May 2024

AbstractTwo innovative early/late Ti−Pt‐heterobimetallic complexes were synthesized, characterized, and screened in cell‐based assays using several human (SW480 and MDA‐MB‐231) and murine cancer cell lines (CT26 and EMT6) as well as a non‐cancerous cell line (HMEC). The combination of the two metals – titanium(IV) and platinum (IV) – in a single molecule led to a synergistic biological activity (higher anti‐proliferative properties than a mixture of each of the corresponding monometallic complexes). This study also investigated the benefits of associating a metal‐free terpyridine moiety (with intrinsic biological activity) with a water‐soluble titanocene fragment. The present work reveals that these combinations results in water‐soluble titanocene compounds displaying an anti‐proliferative activity down to the submicromolar level. One of these complexes induced an antitumor effect in vivo in CT26 tumor bearing BALB/C mice. The terpyridine moiety was also used to track the complex in vitro by multiphoton microscopy imaging.
Spinal subdural hematoma with sudden onset of paraplegia in a patient on oral anticoagulant therapy
Authors: Ito Hayato , Hirata Hirohito , Yoshihara Tomohito , Tsukamoto Masatsugu , Watanabe Kazuyuki , Egashira Yoshiaki , Mawatari Masaaki , Morimoto Tadatsugu 
Published: May 2024

Key Clinical MessageSpinal subdural hematoma is uncommon but may become more prevalent with increasing anticoagulant use. Early diagnosis from symptoms like lower back pain and leg paralysis is crucial for timely intervention.
Linkage‐Mediated Electronic Structure Modulation in Multicomponent Covalent Organic Frameworks for Dramatically Promoted Photocatalytic Hydrogen Evolution
Authors: Yan Yu , Zhao Yanming , Chen Xikai , Lu Zhou , Peng Yunlei , Chen Zongwei , Xu Qun 
Published: May 2024

AbstractLinkage chemistry is an essential aspect to covalent organic framework (COF) applications; it is highly desirable to precisely modulate electronic structure mediated directly by linkage for efficient COF‐based photocatalytic hydrogen evolution, which however, remains substantially challenging. Herein, as a proof of concept, a collection of robust multicomponent pyrene‐based COFs with abundant donor‐acceptor (D−A) interactions has been judiciously designed and synthesized through molecularly engineering linkage for photogeneration of hydrogen. Controlled locking and conversion of linkage critically contribute to continuously regulating COFs’ electronic structures further to optimize photocatalytic activities. Remarkably, the well‐modulated optoelectronic properties turn on the average hydrogen evolution rate from zero to 15.67 mmol g−1 h−1 by the protonated quinoline‐linked COF decorated with the trifluoromethyl group (TT‐PQCOF‐CF3). Using diversified spectroscopy and theoretical calculations, we show that multiple modifications toward linkage synergistically lead to the redistribution of charge on COFs with extended π‐conjugation and reinforced D−A effect, making TT‐PQCOF‐CF3 a promising material with significantly boosted carrier separation and migration. This study provides important guidance for the design of high‐performance COF photocatalysts based on the strategy of linkage‐mediated electronic structure modulation in COFs.
A Real‐Time LSPR‐Based Study of Metal‐Organic Framework (MOF) Growth
Authors: Steinmüller Lucie , Csáki Andrea , Mertens Florian , Fritzsche Wolfgang 
Published: May 2024

AbstractMOFs are known for their absorption properties and widely used for accumulation, filtering, sensorics, photothermal, catalytical and other applications. Their combination with plasmonic metal nanoparticles leads to hybrid structures that profit from the stabilizing effect and high porosity of the MOF as well as the optical and electronic properties of the nanoparticles. The growth of MOFs on plasmonic nanoparticles can be monitored in‐situ using LSPR spectroscopy, simultaneously applying microfluidic reaction conditions for the fabrication of NP@MOF structures. Here, a systematic study is conducted using LSPR spectroscopy for the monitoring of the Layer‐by‐Layer deposition of twelve different MOFs, determining the suitability of LSPR spectroscopy for this purpose. In addition to some well‐investigated materials like HKUST‐1, other MOFs such as MIL‐53, MIL‐88 A and Cu‐BDC are deposited successfully. For some MOFs such as Zn‐Fum, the LSPR experiment indicates that no deposition had taken place. The results are confirmed with AFM, SEM and XPS measurements. This work shows that LSPR spectroscopy is suitable for the in‐situ monitoring of LbL MOF growth and the microfluidic setup is a very promising method for the controlled manufacturing of NP@MOF hybrid structures. Further studies may include the optimization of the synthesis process or the transfer to other materials.
Deploying Cray EX systems with CSM at LANL
Authors: Stradling Alden , Johnson Steven L. , Van Heule Graham 
Published: May 2024

SummaryLos Alamos National Laboratory has deployed (over the last year and a half) a pair of Cray Shasta machines—a development testbed named Guaje and and production machine named Chicoma, which will soon comprise the bulk of LANL's open science research computing portfolio. In the process, we have encountered a number of problems and challenges in several realms—authentication and authorization, cluster health management, image management, and configuration management. Both independently and in collaboration with Cray/HPE, we have found solutions and brought the system into stable production. The presentation will discuss the solutions and how they came about, and issues we are working to resolve in the near future.
Repositioning of Small Molecules through the Inverse Virtual Screening in silico Tool: Case of Benzothiazole‐Based Inhibitors of Soluble Epoxide Hydrolase (sEH)
Authors: Gazzillo Erica , Colarusso Ester , Giordano Assunta , Chini Maria Giovanna , Potenza Marianna , Hofstetter Robert Klaus , Iorizzi Maria , Werz Oliver , Lauro Gianluigi , Bifulco Giuseppe 
Published: May 2024

AbstractComputational techniques accelerate drug discovery by identifying bioactive compounds for specific targets, optimizing molecules with moderate activity, or facilitating the repositioning of inactive items onto new targets. Among them, the Inverse Virtual Screening (IVS) approach is aimed at the evaluation of one or a small set of molecules against a panel of targets for addressing target identification. In this work, a focused library of benzothiazole‐based compounds was re‐investigated by IVS. Four items, originally synthesized and tested on bromodomain‐containing protein 9 (BRD9) but yielding poor binding, were critically re‐analyzed, disclosing only a partial fit with 3D structure‐based pharmacophore models, which, in the meanwhile, were developed for this target. Afterwards, these compounds were re‐evaluated through IVS on a panel of proteins involved in inflammation and cancer, identifying soluble epoxide hydrolase (sEH) as a putative interacting target. Three items were subsequently confirmed as able to interfere with sEH activity, leading to inhibition percentages spanning from 70 % up to 30 % when tested at 10 μM. Finally, one benzothiazole‐based compound emerged as the most promising inhibitor featuring an IC50 in the low micromolar range (IC50=6.62±0.13 μM). Our data confirm IVS as a predictive tool for accelerating the target identification and repositioning processes.
LPHD: A low power and high diffusion lightweight block cipher
Authors: Xu Ruihan , Li Lang , Huang Xiantong 
Published: May 2024

AbstractSmart door locks pose a large number of threats such as network attacks. Its storage area and power of cipher are severely limited because the wireless nodes of smart door locks are mostly battery‐powered. Therefore, effective security solutions are urgently needed. In this paper, a new lightweight block cipher with low power named LPHD is proposed to ensure the security of the master control chip of the smart door lock terminal. We design a scheme of low power S‐box and construct the two‐stage permutation layer (TP structure) suitable for LPHD by filtering the sets of 8‐bit permutations. LPHD proposes a variant of the 8‐branch generalized Feistel structure (GFS) to realize that the bits of all branches are affected in one encryption round. The problem of slow diffusion in the standard Feistel structure is solved. The key schedule adopts the nonlinear design and reuses the encryption process of LPHD. It improves the security of the cipher and reduces hardware overhead. Moreover, we evaluate the hardware implementation and security of LPHD. The results show that LPHD for the unified encryption and decryption circuits requires only 1276 Gate Equivalents (GEs) and 1.914
W on UMC 0.18
m, which is better than other lightweight block ciphers such as SKINNY, PRESENT, and IVLBC. In summary, LPHD provides sufficient security for the master control chip of the smart door lock terminal.
Syntheses and Conformations of a Trinuclear Gold(I) System Based on a Triethinyl‐trisilacyclohexane Scaffold
Authors: Heinrichs Peter , Vishnevskiy Yury V. , Neumann Beate , Stammler Hans‐Georg , Mitzel Norbert W. 
Published: May 2024

AbstractTrisilacyclohexanes and bissilylmethanes with acetylene units attached to silicon sites have been converted into tri‐ and di‐nuclear gold(I)phosphane complexes and characterized by NMR spectroscopy and X‐ray diffraction. The bissilylmethane‐based gold complexes were used as a test system to work out the synthetic routes before transferring them to the trisilacyclohexane scaffolds, because the latter are more difficult to access. The occurrence of aurophilic interactions (short Au ⋅ ⋅ ⋅ Au contacts) depends on the steric bulk of the phosphorus‐bonded alkyl and aryl groups. DFT studies show that dispersion effects play an important role in the ability to form intramolecular Au ⋅ ⋅ ⋅ Au interactions. QTAIM analyses show that a subtle change of the steric bulk of the phosphane groups alters the relative strength of the dispersion and aurophilic interactions. The combination of DFT studies and X‐ray diffraction experiments shows that the conformation of the trisilacyclohexane backbone is also phase dependent.
Predictive validity of the STarT Back screening tool among older adults with back pain
Authors: Vigdal Ørjan Nesse , Flugstad Solveig , Storheim Kjersti , Killingmo Rikke Munk , Grotle Margreth 
Published: May 2024

AbstractBackgroundThe predictive validity of the STarT Back screening tool among older adults is uncertain. This study aimed to assess the predictive validity of the SBT among older adults in primary care.MethodsThis prospective cohort study included 452 patients aged ≥55 years seeking Norwegian primary care with a new episode of back pain. A poor outcome (persistent disabling back pain) was defined as a score of ≥7/24 on the Roland‐Morris Disability Questionnaire (RMDQ) at 3, 6 or 12 months of follow‐up. The ability of the SBT risk groups to identify persistent disabling back pain was assessed with multivariable logistic regression, area under receiver operating characteristics curve (AUC), and with the accuracy measures sensitivity, specificity, predictive values and likelihood ratios.ResultsThe adjusted odds ratios (95% CI) for persistent disabling back pain were 2.40 (1.34–4.30) at 3 months, 3.42 (1.76–6.67) at 6 months and 2.81 (1.47–5.38) at 12 months for the medium‐risk group (n = 118), and 8.90 (1.83–43.24), 2.66 (0.81–8.67) and 4.53 (1.24–16.46) for the high‐risk group (n = 27), compared to the low‐risk group (n = 282). There were no statistically significant differences in odds between the medium‐ and high‐risk groups at any time point. AUC values (95% CI) were 0.65 (0.59–0.71), 0.67 (0.60–0.73) and 0.65 (0.58–0.71) at 3, 6 and 12 months. Accuracy measures were poor at all time points, with particularly poor sensitivity and negative likelihood ratio values.ConclusionThe predictive validity of the SBT risk groups in predicting persistent disabling back pain in older adults was poor.Significance StatementThis study found that the STarT Back screening tool had poor predictive validity among older adults and that it may need recalibration or extension before widespread implementation among older adults. Having valid tools for this population may aid clinicians with allocating scarce healthcare resources, which is especially important considering the rapidly ageing population and its expected challenge to the healthcare systems.
DEPDC5 plays a vital role in epilepsy: Genotypic and phenotypic features in cohort and literature
Authors: Gu Chunyu , Wei Xinping , Yan Dandan , Cai Yingzi , Li Dong , Shu Jianbo , Cai Chunquan 
Published: May 2024

AbstractObjectiveDEPDC5 emerges to play a vital role in focal epilepsy. However, genotype–phenotype correlation in DEPDC5‐related focal epilepsies is challenging and controversial. In this study, we aim to investigate the genotypic and phenotypic features in DEPDC5‐affected patients.MethodsGenetic testing combined with criteria published by the American College of Medical Genetics and Genomics and the Association for Molecular Pathology (ACMG/AMP), was used to identify pathogenic/likely pathogenic variants in DEPDC5 among the cohort of 479 patients with focal epilepsy. Besides, the literature review was performed to explore the genotype–phenotype correlation and the penetrance in DEPDC5‐related focal epilepsies.ResultsEight unrelated probands were revealed to carry different pathogenic/likely pathogenic variants in DEPDC5 and the total prevalence of DEPDC5‐related focal epilepsy was 1.67% in the cohort. Sixty‐five variants from 28 studies were included in our review. Combined with the cases reported, null variants accounted for a larger proportion than missense variants and were related to unfavorable prognosis (drug resistance or even sudden unexpected death in epilepsy; χ2 = 5.429, p = .020). And, the prognosis of probands with developmental delay/intellectual disability or focal cortical dysplasia was worse than that of probands with simple epilepsy (χ2 = −, p = .006). Besides, the overall penetrance of variants in DEPDC5 was 68.96% (231/335).SignificanceThe study expands the variant spectrum of DEPDC5 and proves that the DEPDC5 variant plays a significant role in focal epilepsy. Due to the characteristics of phenotypic heterogeneity and incomplete penetrance, genetic testing is necessary despite no specific family history. And we propose to adopt the ACMG/AMP criteria refined by ClinGen Sequence Variant Interpretation Working Group, for consistency in usage and transparency in classification rationale. Moreover, we reveal an important message to clinicians that the prognosis of DEPDC5‐affected patients is related to the variant type and complications.