bluuebunny/crossref_metadata_2025_split huggingface dataset:
Combination tumor‐treating fields treatment for patients with metastatic non‐small cell lung cancer: A cost‐effectiveness analysis
Authors: Liu Kun , Zhu Youwen , Zhu Hong , Zeng Manting 
Published: March 2024

AbstractBackgroundTumor‐treating field (TTFields) was a novel antitumor therapy that provided significant survival for previously treated metastatic non‐small cell lung cancer (mNSCLC). The consistency of the cost of the new treatment regimen with its efficacy was the main objective of the study.MethodsThe primary parameters, derived from the Phase 3 LUNAR study, were collected to evaluate the cost and efficacy of TTFields plus standard‐of‐care (SOC) (immune checkpoint inhibitors [ICIs] and docetaxel [DTX]) or SOC in patients with mNSCLC by establishing a three‐state Markov model over a 15‐year time horizon. Primary outcome measures for this study included costs, life‐years (LYs), quality‐adjusted LYs (QALYs), and incremental cost‐effectiveness ratios (ICERs). Sensitivity analyses were performed.ResultsThe total costs of TTFields plus SOC, TTFields plus ICI, and TTFields plus DTX were $319,358, $338,688, and $298,477, generating 1.23 QALYs, 1.58 QALYs, and 0.89 QALYs, respectively. The ICERs of TTFields plus SOC versus SOC, TTFields plus ICI versus ICI, and TTFields plus DTX versus DTX were $613,379/QALY, $387,542/QALY, and $1,359,559/QALY, respectively. At willingness‐to‐pay (WTP) thresholds of $150,000/QALY, the probability of combination TTFields being cost‐effective was 0%. In addition, TTFields plus SOC exhibited similar efficacy (1.12 QALYs and 1.14 QALYs) and costs ($309,822 and $312,531) in the treatment of squamous cell carcinoma (SCC) and non‐squamous cell carcinoma (NSCC) populations.ConclusionsIn the United States, TTFields plus SOC as second‐line treatment was not a more cost‐effective strategy for patients with mNSCLC. Of the analyzed regimens, TTFields plus ICI was associated with most significant health benefits.
Microelectrode‐enabled Electrocrystallization of Cobalt TCNQ Complex for Gas Sensing
Authors: Lin Jiancheng , Kilani Mohamed , Baharfar Mahroo , Tang Jianbo , Zheng Jiewei , Kumar Priyank V. , Kalantar‐Zadeh Kourosh , Mao Guangzhao 
Published: March 2024

AbstractElectrocrystallization is a promising method for controlled charge‐transfer complex (CTC) deposition on microfabricated electrodes for gas sensing applications. However, there remains a gap in our understanding of CTC electrodeposition. In this study, we focus on investigating the electrocrystallization of cobalt tetracyanoquinodimethane (Co‐TCNQ) on a microdisk electrode to elucidate and control the process. Leveraging the microelectrode technique, we conduct steady‐state measurements to observe nucleation and crystal growth dynamics, particularly in the early stages of electrocrystallization. We use cyclic voltammetry and chronoamperometry to examine Co‐TCNQ electrocrystallization under various electrolytic conditions. We identify electrocrystallization kinetics, ranging from electrokinetic to diffusion‐limited growth, governing the nucleation and growth of Co‐TCNQ crystals. Notably, we pinpoint the applied overpotential and precursor concentration range necessary for a single nucleation site on the microelectrode. Moreover, we demonstrate control over crystal orientation and morphology. Our findings reveal a nonclassical growth pathway for Co‐TCNQ crystals characterized by oriented attachment of small crystallites along the conductive long axis. Importantly, electrodeposited Co‐TCNQ on patterned microelectrodes exhibits selective sensing capabilities for nitrogen dioxide gas. Overall, this study sheds light on CTC electrodeposition through a proof‐of‐concept demonstration involving Co‐TCNQ electrodeposition on microelectrodes, presenting potential applications across diverse materials.
Wireless Light‐Emitting Electrode Arrays for the Evaluation of Electrocatalytic Activity
Authors: Boukarkour Youness , Reculusa Stephane , Sojic Neso , Kuhn Alexander , Salinas Gerardo 
Published: March 2024

AbstractWater splitting has become a sustainable and clean alternative for hydrogen production. Commonly, the efficiency of such reactions is intimately related to the physico‐chemical properties of the catalysts that constitute the electrolyzer. Thus, the development of simple and fast methods to evaluate the electrocatalytic efficiency of an electrolyzer is highly required. In this work, we present an unconventional method based on the combination of bipolar electrochemistry and light‐emitting diodes, which allows the evaluation of the electrocatalytic performance of the two types of catalysts, composing an electrolyzer, namely for oxygen and hydrogen evolution reactions, respectively. The integrated light emission of the diode acts as an optical readout of the electrocatalytic information, which simultaneously depends on the composition of the anode and the cathode. The electrocatalytic activity of Au, Pt, and Ni electrodes, connected to the LED in multiple anode/cathode configurations, towards the water splitting reactions has been evaluated. The efficiency of the electrolyzer can be represented in terms of the onset electric field (ϵonset) for light emission, obtaining variations that are in agreement with data reported with conventional electrochemistry. This work introduces a straightforward method for evaluating electrocatalysts and underscores the importance of material characterization in developing efficient electrolyzers for hydrogen production.
Intramolecular Friedel‐Crafts Acylation of [11C]Isocyanates Enabling the Radiolabeling of [carbonyl‐11C]DPQ
Authors: Ozenil Marius , Kogler Lukas , Mair Braeden A. , Hacker Marcus , Wadsak Wolfgang , Rotstein Benjamin H. , Pichler Verena 
Published: March 2024

Abstractα,β‐aromatic lactams are highly abundant in biologically active molecules, yet so far they cannot be radiolabeled with short‐lived (t1/2=20.3 min), β+‐decaying carbon‐11, which has prevented their application as positron emission tomography tracers. Herein, we developed, optimized, and applied a widely applicable, one‐pot, quick, robust and automatable radiolabeling method for α,β‐aromatic lactams starting from [11C]CO2 using the reagent POCl3⋅AlCl3. This method proceeds via intramolecular Friedel‐Crafts acylation of in situ formed [11C]isocyanates and shows a broad substrate scope for the formation of five‐ and six‐membered rings. We implemented our developed labeling method for the radiosynthesis of the potential PARP1 PET tracer [carbonyl‐11C]DPQ in a clinical radiotracer production facility following the standards of the European Pharmacopoeia.
Enabling High Activation of Glucose‐6‐Phosphate Dehydrogenase Activity Through Liquid Condensate Formation and Compression
Authors: Jaworek Michel W. , Oliva Rosario , Winter Roland 
Published: March 2024

AbstractDroplet formation via liquid–liquid phase separation is thought to be involved in the regulation of various biological processes, including enzymatic reactions. We investigated a glycolytic enzymatic reaction, the conversion of glucose‐6‐phosphate to 6‐phospho‐D‐glucono‐1,5‐lactone with concomitant reduction of NADP+ to NADPH both in the absence and presence of dynamically controlled liquid droplet formation. Here, the nucleotide serves as substrate as well as the scaffold required for the formation of liquid droplets. To further expand the process parameter space, temperature and pressure dependent measurements were performed. Incorporation of the reactants in the liquid droplet phase led to a boost in enzymatic activity, which was most pronounced at medium‐high pressures. The crowded environment of the droplet phase induced a marked increase of the affinity of the enzyme and substrate. An increase in turnover number in the droplet phase at high pressure contributed to a further strong increase in catalytic efficiency. Enzyme systems that are dynamically coupled to liquid condensate formation may be the key to deciphering many biochemical reactions. Expanding the process parameter space by adjusting temperature and pressure conditions can be a means to further increase the efficiency of industrial enzyme utilization and help uncover regulatory mechanisms adopted by extremophiles.
PEC‐PRO: A new prognostic score from a series of 87 patients with localized perivascular epithelioid cell neoplasms (PEComas) treated with curative intent
Authors: Gantzer Justine , Toulmonde Maud , Severac François , Chamseddine Ali N. , Charon‐Barra Céline , Vinson Charles , Hervieu Alice , Bourgmayer Agathe , Bertucci François , Ryckewaert Thomas , Valentin Thibaud , Firmin Nelly , Chaigneau Loïc , Bompas Emmanuelle , Follana Philippe , Rioux‐Leclercq Nathalie , Soibinet‐Oudot Pauline , Bozec Laurence , Le Loarer François , Weingertner Noëlle , Chevreau Christine , Duffaud Florence , Blay Jean‐Yves , Kurtz Jean‐Emmanuel , Schöffski Patrick , Brahmi Mehdi , Malouf Gabriel G. 
Published: March 2024

AbstractBackgroundPerivascular epithelioid cell neoplasms (PEComas) encompass a heterogeneous family of mesenchymal tumors. Previously described clinicopathologic features aimed at distinguishing benign from malignant variants but lacked prognostic value.MethodsThis retrospective analysis examined clinicopathologic data from patients who had localized PEComa across French Sarcoma Network centers. The authors analyzed 12 clinicopathologic features in a Cox proportional hazard framework to derive a multivariate prognostic risk model for event‐free survival (EFS). They built the PEComa prognostic score (PEC‐PRO), in which scores ranged from 0 to 5, based on the coefficients of the multivariate model. Three groups were identified: low risk (score = 0), intermediate risk (score = 1), and high risk (score ≥ 2).ResultsAnalyzing 87 patients who had a median 46‐month follow‐up (interquartile range, 20–74 months), the median EFS was 96.5 months (95% confidence interval [CI], 47.1 months to not applicable), with 2‐year and 5‐year EFS rates of 64.7% and 58%, respectively. The median overall survival was unreached, with 2‐year and 5‐year overall survival rates of 82.3% and 69.3%, respectively. The simplified Folpe classification did not correlate with EFS. Multivariate analysis identified three factors affecting EFS: positive surgical margins (hazard ratio [HR], 5.17; 95% CI, 1.65–16.24; p = .008), necrosis (HR, 3.94; 95% CI, 1.16–13.43; p = .030), and male sex (HR, 3.13; 95% CI, 1.19–8.27; p = 0.023). Four variables were retained in the prognostic model. Patients with low‐risk PEC‐PRO scores had a 2‐year EFS rate of 93.7% (95% CI, 83.8%–100.0%), those with intermediate‐risk PEC‐PRO scores had a 2‐year EFS rate of 67.4% (95% CI, 53.9%–80.9%), and those with high‐risk PEC‐PRO scores had a 2‐year EFS rate of 2.3% (95% CI, 0.0%–18.3%).ConclusionsThe PEC‐PRO score reliably predicts the risk of postoperative recurrence in patients with localized PEComa. It has the potential to improve follow‐up strategies but requires validation in a prospective trial.
Venetoclax plus a hypomethylating agent versus cytarabine, aclarubicin, and granulocyte colony‐stimulating factor chemotherapy as a first‐line therapy for newly diagnosed acute myeloid leukemia: A propensity score–matched analysis
Authors: Huang Rui , He Honghua , Xu Xiaoli , Lin Xiaonan , Dong Ying , Wang Xiaotao , Jiang Fang , Huang Pengcheng , Mo Shuyi , Huang Zhenqian , Wang Yaya , Tao Hongfang , Zheng Yaling , Wu Ming , Yang Chuting , Zheng Ziyu , Zhao Ying , Zhang Yuming , Li Yuhua 
Published: March 2024

AbstractBackgroundBoth venetoclax plus a hypomethylating agent (VEN/HMA) and cytarabine, aclarubicin, and granulocyte colony‐stimulating factor (CAG) are low‐intensity regimens for older patients with acute myeloid leukemia (AML) that show good efficacy and safety. It is unknown how VEN/HMA compares with the CAG regimen for the treatment of newly diagnosed AML.MethodsThe outcomes of patients with newly diagnosed AML treated with VEN/HMA were compared with those of patients treated with a CAG‐based regimen. Propensity score matching between these two cohorts at a 1:1 ratio was performed according to age at diagnosis, sex, Eastern Cooperative Oncology Group performance status, state of fitness, and European LeukemiaNet (ELN) 2022 risk stratification to minimize bias.ResultsA total of 84 of 96 patients in the VEN/HMA cohort were matched with 84 of 147 patients in the CAG cohort. VEN/HMA resulted in a better response than the CAG‐based regimens, as indicated by a higher composite complete remission (CRc) rate (82.1% vs. 60.7%; p = .002) and minimal residual disease negativity rate (88.2% vs. 68.2%; p = .009). In patients with an ELN adverse risk, VEN/HMA was associated with a higher CRc rate compared to CAG (80.5% vs. 58.3%; p = .006). VEN/HMA was associated with longer event‐free survival (EFS) (median EFS, not reached vs. 4.5 months; p = .0004), whereas overall survival (OS) was comparable between the two cohorts (median OS, not reached vs. 18 months; p = .078).ConclusionsThe VEN/HMA regimen may result in a better response than CAG‐based treatment in older patients with newly diagnosed AML.
Sheet Models for Methylaluminoxane (MAO) Activators? A Theoretical Case Study involving rac‐Me2Si(η5‐C9H6)2Zr (SBIZr) Complexes
Authors: Collins Scott , Linnolahti Mikko 
Published: March 2024

AbstractActivation of SBIZrMe2 or SBIZrMeCl and a sheet model for an active component of hydrolytic MAO, (MeAlO)16(Me3Al)6, (16,6) has been studied by DFT. Contact ion‐pair formation occurs through the intermediacy of SBIZrMe(Cl) or SBIZrMe2 reacting with sheet 16,6 to furnish SBIZrMe‐μ‐X(MeAlO)16(Me3Al)6 (2, X=Me, Cl). Contact ion‐pairs 2 would be in equilibrium with heterodinuclear catalyst precursors [SBIZrMe2AlMe2][(MeAlO)16(Me3Al)6X] (3 (X=Me, Cl) through reversible binding of Me3Al at higher Al : Zr ratios. Calculations show that formation of ion‐pairs 3 from contact ion‐pairs 2 is more favourable for the SBIZr compared with the parent Cp2Zr complexes. TD‐DFT calculations were conducted on relevant SBIZr complexes to relate the results to earlier spectroscopic studies of catalyst activation using UV‐Vis spectroscopy. Finally, propene insertion into ion‐pairs 2, SBIZrMe‐μ‐MeB(C6F5)3 (6) and [SBIZrMe][B(C6F5)4] (7) was studied at M06‐2X/TZVP level of theory. These studies suggest that contact ion‐pairs 2 are significantly less reactive towards insertion than 6 or 7, in disagreement with experiment.
Many‐body Effects on Electronic Transport in Molecular Junctions: A Quantum Perspective
Authors: Sarmah Amrit , Hobza Pavel , Chandra Asit K. , Mitra Sivaprasad , Nakajima Takahito 
Published: March 2024

AbstractThis concept delves into quantum particle transport at the nanoscale, with a particular focus on how electrons move through molecular circuits. The thriving field of single molecular electronics benefits from the unique electrical and other properties of nanostructures. It concentrates on single molecular junctions that serve as bridges between electrodes. In this context, the electronic correlation‐induced many‐body effect gives rise to resonant states. These states, along with conductance, depend on electron spin. Thus, the field acts as a bridge between quantum and macroscopic worlds, unveiling unique behaviors of electrons. Additionally, external factors, such as magnetic fields and voltages, offer means to control the electron correlation in these junctions.
Quantum Chemistry and Pharmacy: Diagnostic Check of the Thermochemistry of Ibuprofen
Authors: Emel'yanenko Vladimir N. , Zherikova Kseniya V. , Verevkin Sergey P. 
Published: March 2024

AbstractThe thermodynamic data on ibuprofen available in the literature shows that the disarray of experimental results is unacceptable for this very important drug. The data on ibuprofens available in the literature were collected, combined with our complementary experimental results and evaluated. The enthalpies of combustion and formation of the crystalline RS‐(±)‐ and S‐(+)‐ibuprofens were measured using high‐precision combustion calorimetry. The temperature dependence of the vapour pressure of S‐(+)‐ibuprofen was measured using the transpiration method and the enthalpy of vaporization was derived from this measurement. The enthalpies of fusion of both compounds were measured using DSC. The G4 calculations have been carried out to determine the enthalpy of formation in the gaseous state of the most stable conformer. Thermochemical properties of the compounds studied were evaluated and tested for consistency with the “centerpiece approach”. A set of reliable and consistent values of thermodynamic properties of ibuprofens at 298.15 K is recommended for thermochemical calculations of the pharmaceutical processes. The diagnostic protocol was developed to distinguish between the “sick” or “healthy” thermodynamic data. This diagnostic is also applicable to other drugs with a different structure than ibuprofen.
Effect of Zirconium Content on Defect Structure and Light Damage Resistance of Zr:Dy:LiNbO3 Crystals
Authors: Dai Li , Zhang Lin , Wang Houliang , Lai Ning 
Published: March 2024

AbstractIn this paper, Zr:Dy:LiNbO3 crystals are prepared by traditional pull‐up method, in which Zr4+ doping concentrations are 0, 1, 2, and 4 mol%, respectively. In this paper, the defective structure of Zr:Dy:LiNbO3 crystals and their resistance to photodamage under different Zr4+ concentration doping are studied. Firstly, the influence of Zr4+ doping concentration on the defective structure of Zr:Dy:LiNbO3 crystal and the occupancy of doped ions under different Zr4+ concentrations are tested and discussed by infrared (IR) absorption spectroscopy and ultraviolet‐visible near‐infrared (UV–vis–NIR) absorption spectroscopy. The Judd–Ofelt theoretical analysis results show that when the concentration of doped Zr4+ is 2 mol%, the spectral quality factor (X) of Dy3+ in lithium niobate crystals is significantly improved compared with that of Dy3+ in other crystals. Secondly, resistance to photodamage of Zr:Dy:LiNbO3 crystals is studied and analyzed by the light scattering exposure energy flow threshold method. The results show that when the concentration of doped Zr4+ ions reaches 4 mol%, the exposure energy value is increased by 210 times compared with the no doping, which greatly improves the anti‐photodamage performance of the crystal.
V‐MXenes for Energy Storage/Conversion Applications
Authors: Hussain Iftikhar , Kewate Onkar Jaywant , Hanan Abdul , Bibi Faiza , Javed Muhammad Sufyan , Rosaiah P. , Ahmad Muhammad , Chen Xi , Shaheen Irum , Hanif Muhammad Bilal , Bhatti Ali Hassan , Assiri Mohammed Ali , Zoubi Wail Al , Zhang Kaili 
Published: March 2024

AbstractMXenes, a two‐dimensional (2D) material, exhibit excellent optical, electrical, chemical, mechanical, and electrochemical properties. Titanium‐based MXene (Ti‐MXene) has been extensively studied and serves as the foundation for 2D MXenes. However, other transition metals possess the potential to offer excellent properties in various applications. This comprehensive review aims to provide an overview of the properties, challenges, key findings, and applications of less‐explored vanadium‐based MXenes (V‐MXenes) and their composites. The current trends in V‐MXene and their composites for energy storage and conversion applications have been thoroughly summarized. Overall, this review offers valuable insights, identifies potential opportunities, and provides key suggestions for future advancements in the MXenes and energy storage/conversion applications.
Long‐term effects of a tornado: Impacts on woody native vegetation and invasive Amur honeysuckle (Lonicera maackii) in an urban forest
Authors: Culley Theresa M. , Bécus Marjorie S. , Cameron Guy N. 
Published: March 2024

AbstractAs tornados become increasingly common with global climate change, recovery of the woody vegetation in temperate forests is imperative to maintain an intact ecosystem. In many urbanized landscapes, invasive species are also increasing and could interfere with natural recovery from environmental disturbance. We quantified the impact and 17‐year recovery from a major tornado in a temperate deciduous forest. We used vegetational surveys in southwestern Ohio at the Harris M. Benedict Nature Preserve, where approximately a third of this site was damaged by a tornado in 1999. Plots were established in the tornado‐damaged area and the nearby undisturbed forest to examine forest recovery of trees/saplings, shrubs and vines, and tree seedlings during 2003, 2006, 2010, and 2016/2017. The number of tree saplings, shrubs, and vines increased immediately after the tornado, but then declined by 2010, relative to the undisturbed forest. Forest tree recruitment was lower in tornado‐damaged sites with fewer tree seedlings, but more saplings. Tree diversity was also affected by Agrilus planipennis (Emerald Ash borer) which targeted native ash trees within this time period. Despite an initial increase in shrubs and vines in the damaged area, the diversity and density of shrubs approached equality in both sites by 2016. Most shrubs in both sites were the invasive Lonicera maackii (Amur honeysuckle). In tornado sites, honeysuckle thinned out over time, leaving larger shrubs with greater mean basal diameter compared to the undisturbed forest. Other woody invasive species were also more prevalent in the damaged area, but increased in number in both locations by 2017. The forest has the capability to begin to recover from the initial tornado, but its future composition may differ from its initial trajectory due to invasive species, loss of ash trees, and anthropogenic impacts within the urban landscape.
Effects of short‐ and long‐term plant functional group loss on alpine meadow community structure and soil nutrients
Authors: Wei Jingjing , Zhou Huakun , Shao Xinqing , Sun Jian , Ma Li , Zhang Zhonghua , Qin Ruimin , Su Hongye , Hu Xue , Chang Tao , Shi Zhengchen , Ade Haze , Wang Huichun 
Published: March 2024

AbstractThe rapid loss of global biodiversity can greatly affect the normal functioning of ecosystems. However, how biodiversity losses affect plant community structure and soil nutrients is unclear. We conducted a field experiment to examine the short‐ and long‐term effects of removing plant functional groups (Gramineae, Cyperaceae, legumes, and forbs) on the interrelationships among the species diversity, productivity, community structure, and soil nutrients in an alpine meadow ecosystem at Menyuan County, Qinghai Province. The variations in the species richness, above‐ and belowground biomass of the community gradually decreased over time. Species richness and productivity were positively correlated, and this correlation tended to be increasingly significant over time. Removal of the Cyperaceae, legumes, and other forbs resulted in fewer Gramineae species in the community. Soil total nitrogen, phosphorus, organic matter, and moisture contents increased significantly in the legume removal treatment. The removal of other forbs led to the lowest negative cohesion values, suggesting that this community may have difficulty recovering its previous equilibrium state within a short time. The effects of species removal on the ecosystem were likely influenced by the species structure and composition within the community. Changes in the number of Gramineae species indicated that they were more sensitive and less resistant to plant functional group removal. Legume removal may also indirectly cause distinct community responses through starvation and compensation effects. In summary, species loss at the community level led to extensive species niche shifts, which caused community resource redistribution and significant changes in community structure.