bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pulmonary Consequences of Surgical Treatment in Children's Primary Lung Tumors: A National Retrospective Study
Authors: Godard Flavie , Haffreingue Aurore , Hameury Frédéric , Sarnacki Sabine , Hervieux Erik , Bonnard Arnaud , Guérin Florent , Rouger Jérémie , Brouard Jacques , Vérité Cécile , Ollivier Margot , Schmitt Françoise , Scalabre Aurélien , Gambart Marion , Hunault Marie Auger , Sudour‐Bonnange Hélène , Buisson Philippe , André Nicolas , Thebaud Estelle , Habonimana Edouard , Mansuy Ludovic , Marie‐Cardine Aude , Lejeune Julien , Piolat Christian , Briandet Claire , Orbach Daniel , Fresneau Brice , Reguerre Yves , Mallebranche Coralie , Rod Julien , Delehaye Fanny 
Published: January 2025

ABSTRACTBackground and aimsPrimary lung tumors (PLTs) in children are rare, and surgery remains the key to ensure remission. Here we describe the PLTs clinical characteristics, their management, and the pulmonary outcome following surgery.MethodsWe carried out a French national cohort of pediatric PLTs from 2013 to 2023 from the FRACTURE rare pediatric tumors national database. We included children under 18 years at diagnosis who underwent surgery for a histologically proven PLT, with a minimum of 6 months of follow‐up (FU) post surgery.ResultsSixty‐two patients were included. The median age at diagnosis was 3.6 years [3; 11], sex ratio 1.07. Pleuropulmonary blastoma was the most frequent tumor retrieved (n = 31). Sixty patients underwent surgery: 32 lobectomies, 15 wedges, five segmentectomies, and five pneumectomies. A thoracoscopic approach was carried out in 14% of the cases. At 6 months post surgery and at the last follow‐up (median time of 5.7 years [3.4; 7.6]), respectively, 11 and eight patients presented with pulmonary symptoms, and 10 and three patients presented with surgical complications. During the post‐surgery period, 22 children benefited from an evaluation of their respiratory function by pulmonary function tests, and four of them remained with abnormal results.ConclusionsSurgery is key to ensure remission in PLTs and seems secure. However, respiratory symptoms are noted in 13% of children during the FU, and this rate is probably underestimated. Therefore, we suggest a systematic pulmonary FU to optimize postoperative pulmonary rehabilitation and, therefore, the child's pulmonary outcome.
A comparative approach for self‐healing of carbon nanotube epoxy/polycaprolactone composites: Joule, Infrared, and oven heating
Authors: Calderón‐Villajos Rocío , Vázquez‐López Antonio , Jiménez‐Suárez Alberto , Fernández Sánchez‐Romate Xoan Xosé , Prolongo Silvia G. 
Published: January 2025

AbstractThe self‐healing process in PCL (polycaprolactone)/epoxy blends is studied in order to optimize the healing process and understand its underlying mechanism. For this purpose, PCL/epoxy blends are prepared with and without multiwall carbon nanotubes (MWCNTs) addition. Three different self‐healing heat‐inducement techniques are used (an oven, Joule effect, and infrared (IR) lamp) as a function of healing time (2, 5, 10, and 15 min) and PCL concentration (5, 10, and 15 wt%). The results obtained demonstrate that the addition of MWCNTs to the polymer matrix in PCL/epoxy blends accelerates the self‐healing process, attributed to an improved heat diffusion in MWCNTs/PCL/epoxy blends. The best self‐healing results were obtained with the highest self‐healing time and concentration of PCL, caused by the higher probability of the crack formation over a PCL reservoir. The most efficient techniques to induce the self‐healing process in PCL/epoxy blends with and without MWCNTs are the conventional oven and the Joule Effect, respectively, being faster the latter method, as it induces a homogeneous internal heating of the material. Moreover, Joule effect can be controlled remotely, while IR radiation is a noncontact technique, which can be applied in situ. The three heating methods are evaluated considering these factors alongside their energy efficiency, establishing a method to choose a specific heating source for similar systems.Highlights
PCL/epoxy blends reinforced with MWCNTs have been manufactured.
Variable heating sources have been analyzed.
The influence of the heating source on the self‐healing is studied.
Joule constitutes the faster heating for MWCNTs/PCL/epoxy system.
Static deflection prediction of damaged glass fiber‐reinforced metal laminated composite and experimental validation
Authors: Thomas Libin Chakkata , Akkasali Naveen Kumar , Giri Jayant , Al‐Lohedan Hamad A. , Kumar Vikash , Panda Subrata Kumar , Mallik Saurav 
Published: January 2025

AbstractThis study examines the influence of damage on the stiffness characteristics of synthetic fiber (Glass)‐reinforced metal laminated composite panels through static deflection analysis. The fiber‐metal laminate (FML) structural panel deflections are obtained computationally via a mathematical model using third‐order kinematics in the framework of equivalent single‐layer theory. The deflection values are obtained numerically with the help of finite element steps. The solution consistencies are verified by a convergence test and extended to perform the validation. Additionally, the numerical results are compared with the in‐house experimental data of FML bending deflection values considering the experimental properties and influence of damage. The maximum deviation in the intact deflection response was −4.27%, while the deflection response for crack damage showed a deviation of −0.57%. Again, the model is engaged in obtaining the results by varying different geometry‐dependent design parameters, including the damage data. The spherical geometry with a pre‐damaged structure demonstrates better deformation resistance under external loading. The thickness ratio (L/h) and angle layup fiber scheme show a higher deflection response.Highlights
A higher‐order FE model is delved to compute the deflections of damaged FML.
The model validity is verified with in‐house experimental values.
The inference of parameters on the deflection values are computed numerically.
The understandings of significant parameters are discussed in detail.
Characterization of lamotrigine disposition changes during and after pregnancy in women with epilepsy
Authors: Karanam Ashwin , Pennell Page B. , Meador Kimford J. , Long Yuhan , Birnbaum Angela K. 
Published: January 2025

AbstractBackgroundLamotrigine clearance can change drastically in pregnant women with epilepsy (PWWE) making it difficult to assess the need for dosing adjustments. Our objective was to characterize lamotrigine pharmacokinetics in PWWE during pregnancy and postpartum along with a control group of nonpregnant women with epilepsy (NPWWE).MethodsThe Maternal Outcomes and Neurodevelopmental Effects of Antiepileptic Drugs (MONEAD) study was a prospective, observational, 20 site, cohort study conducted in the United States (December 2012 and February 2016). Inclusion criteria included patients aged 14–45 years, gestational age <20 weeks at the time of recruitment, IQ >70 points, and receiving lamotrigine. PWWE participated throughout pregnancy and 18 months postpartum with NPWWE having matched visit intervals. Plasma drug and hormone concentrations were measured at each of the seven visits. A population mixed‐effects modeling approach was used to describe lamotrigine clearance change.Results221 (170 PWWE, 51 NPWWE) women were included. Baseline apparent clearance (clearance for NPWWE and when not pregnant for PWWE) was identical between the two groups (2.79 L/hour. with 36% between‐subject variability). Two subpopulations were identified in PWWE: ~91% of PWWE had a maximum increase to 275% of baseline clearance with 50% of the maximum increase reached at 12 weeks gestational age and ~9% had no significant change in clearance during gestation. Following delivery, a first‐order mono‐exponential decline (1.27 weeks−1) in clearance as a function of postpartum week described a return of clearance to baseline. The use of estrogen‐based medication and enzyme‐inducing antiseizure medications increased nonpregnant clearance by a further 0.33‐fold and 0.84‐fold, respectively.DiscussionDuring pregnancy, 91% of PWWE experience a 275% change from nonpregnant baseline in lamotrigine clearance whereas the remaining PWWE experience little to no change. Nonpregnant baseline lamotrigine clearance was higher in both PWWE and NPWWE with the administration of oral estrogen‐containing medications. Our results are of clinical importance as they indicate a subpopulation without the need for substantial dose changes during pregnancy and a source of potential difference across nonpregnant individuals.
Childhood Tuberculosis—Advances in Treatment and Prevention
Authors: Owusu Sandra Kwarteng 
Published: January 2025

ABSTRACTTuberculosis (TB) in childhood presents a substantial global burden with nearly two million episodes of disease in children and adolescents annually. The majority of children who die from TB never receive appropriate treatment. Advancements in childhood TB treatments have been slow and there are many challenges with TB treatment in children. However, recently, there have been renewed efforts toward better options for TB treatment in children. The shortened duration of treatment (4 months) in nonsevere TB and an all‐oral treatment for multidrug‐resistant TB are major landmarks in childhood TB treatment. Although BCG remains the only vaccine for TB prevention, there are candidate vaccines that target infants and adolescents.
Time to Castration Resistance is Associated With Overall Survival Even After the Achievement of Castration Resistance in Metastatic Prostate Cancer
Authors: Kato Hiroto , Goto Yusuke , Kojima Satoko , Onoda Yusuke , Wakai Ken , Hou Kyokushin , Araki Kazuhiro , Sakamoto Shinichi , Ichikawa Tomohiko , Naya Yukio 
Published: January 2025

ABSTRACTBackgroundRecent clinical trials have shown that patients with metastatic castration‐sensitive prostate cancer in real‐world settings have different overall survival (OS) rates after stratifying for tumor burden or visceral metastasis. However, some patients with a low tumor burden and without visceral metastasis still have a poor survival. Androgen receptor signaling is still a main therapeutic target of prostate cancer treatment even after the achievement of castration resistance. In this regard, we hypothesized that time to castration resistance can be a prognostic factor of metastatic castration‐sensitive prostate cancer even after achieving castration resistance. The current study aimed to assess the novel prognostic factors, particularly time to castration resistance, of prostate cancer in patients at a real‐world single institution.MethodsThe data of 261 patients who were newly diagnosed with metastatic castration‐sensitive prostate cancer from January 2007 to December 2023 were retrospectively analyzed.ResultsThe median OS was 60.7 months, and the median time to castration resistance was 13.1 months. Among 261 patients, 158 developed castration‐resistant prostate cancer. A shorter time to castration resistance, the presence of distant lymph node metastasis, ISUP grade group 5, and older age were associated with a shorter OS in patients who developed castration‐resistant prostate cancer. A shorter time to castration resistance was significantly associated with a shorter OS regardless of the tumor burden. Further, it was associated with a shorter OS even after the achievement of castration resistance.ConclusionsThe study results support the presence of persistent androgen receptor signaling even after achieving castration resistance in prostate cancer, and time to castration resistance can be a biomarker for the activation of androgen receptor signaling regardless of tumor burden.
The Challenge of Introducing Sustainability‐Oriented Innovation—An Ethnographic Study
Authors: Śliwińska Irena , Beńko Piotr , Breuer Henning , Ciesielska Małgorzata , Ivanov Kiril , Kasz Jacek , Matras‐Postołek Katarzyna 
Published: January 2025

ABSTRACTSustainable development is a key concept within global policies and programs. European Union as one of the leaders in implementing the 17 Sustainable Development Goals committed to finding sustainable and inclusive development solutions by 2030. These commitments were included in the Green Deal requirements for every European country. As an EU member, Poland now has to operate in a competitive global market and has come to the point of implementing sustainable innovation as a necessary means of further economic growth. The aim of this paper is to investigate how entrepreneurs cope with barriers and challenges to introducing sustainability‐oriented innovation in the Polish market. For this purpose, authors conducted a literature review and ethnographic research in seven companies operating in Poland. To the best of our knowledge for the first time, ethnographic research was conducted in the field of applying sustainability‐oriented innovation in Polish companies. Our findings indicate that the greatest challenges are values‐based, mainly an integration of the company's values with external stakeholders. Substantial efforts are required to convince investors about the long‐term advantages of sustainable solutions. The most important part of this process is the education of stakeholders and a values‐oriented communication strategy of the company. Additionally, entrepreneurs consider public procurement law to be a “killer of innovation.” This article can fill the gap in the knowledge about the company's best practices, barriers, and values that influence their sustainability‐oriented innovation activities.
Molecular Insights into Antimicrobial Triazole Compounds: A Synergistic 2D‐QSAR, DFT, and POM Approach
Authors: Maymoun Ghizlan , Lafridi Hind , Lmachraa Imane , Zgou Hsaine , Oussama Abchir , Daoui Ossama , Mkhayar Khaoula , Elkhattabi Souad , Lakbaibi Zouhair , Chtita Samir 
Published: January 2025

AbstractA comprehensive study was conducted using DFT quantum calculations, 2D‐QSAR, and POM analysis, to evaluate the potential of triazole derivatives against Mycobacterium tuberculosis (MTB) and Pseudomonas aeruginosa (PA). Twenty‐one compounds were analyzed, with Ciprofloxacin as a reference, and two key protein targets, LasR and LipY, were studied for their interactions. Quantum parameters of the molecules were calculated using the B3LYP/6–311G(d) basis set, focusing on electrostatic and nucleophilic potential. The QSAR models, developed using MLR, and MNLR techniques, demonstrated strong predictive power, with the RNLM model exhibiting high predictive accuracy (R2MTB = 0.81 and R2PA = 0.91) for both bacterial strains. The most significant descriptors for predicting antibacterial activity included EHOMO, ELUMO, PSA, NHA, and γ. Notably, three compounds (A, S, and T) showed the highest activity against MTB, while compounds M, R, and T exhibited promising efficacy against PA. Additionally, the antimicrobial effects of triazole derivatives were investigated, revealing significant activity for these molecules against both MTB and PA. Pharmacophore site identification using POM analysis further supported the potential of these compounds, offering valuable insights for drug discovery. This integrated approach underscores the importance of understanding the structure‐activity relationships of triazole molecules, demonstrating their potential for the development of novel antibacterial agents.
Thermodynamics and Computational Study of the Molecular Interactions of Imidazolium and Pyrrolidinium Based Ionic Liquids in Water
Authors: Kumar Sandeep , Lelisho Teshome Abute , Bahadur Indra , Singh Thishana 
Published: January 2025

AbstractThis investigation, delved into the precise determination of the thermodynamic properties in binary mixtures containing ionic liquids (ILs): a critical aspect for both process design and potential engineering applications. The focus was three specific ILs: 1‐butyl‐3‐methylimidazolium thiocyanate or chloride [Bmim][SCN] or [Bmim][Cl], and 1‐butyl‐1‐methylpyrrolidinium chloride [Bmpym][Cl], in water, at various temperatures. The primary objective was to examine the influence of temperature and ionic liquid concentration on molecular interactions within these mixtures. Experimental data for density and sound velocity were meticulously collected for the binary solutions, in the temperature range from 293.15 to 343.15 K. This data was used in calculations to derive key thermodynamic parameters, including apparent molar volume (Vφ), apparent molar adiabatic compressibility (kφ), limiting apparent molar expansion , and thermal expansion coefficients (αp). The application of the Redlich–Mayer equation was used to determine the limiting apparent molar volume () and limiting apparent molar adiabatic compressibility along with their associated parameters (Sv, Bv, Sk, and Bk). Furthermore, to understand the interactions in the IL complex, the interaction energy was calculated by using density functional theory. A QTAIM and NCI analysis was done to classify the type of interactions.
DPP Leveler with Side Chain Modifications: Mechanistic Insights on Charge Sites for Improved Microvia Filling in Copper Electrodeposition
Authors: Chen Xin , Li Jun , Li Xuyang , Hu Zhenlong , Wang Limin 
Published: January 2025

Abstract2,5‐Bis(6‐(trimethylammonium)hexyl)‐3,6‐diaryl‐1,4‐diketopyrrolo[3,4‐c]pyrrole (DPP) pigments have demonstrated significant potential as levelers in copper electrodeposition. In this study, we synthesized novel diketopyrrolopyrrole‐based quaternary ammonium salts 1a, 1b, 1c, and 1d, each featuring distinct substituents, and assessed their inhibitory properties through electrochemical measurements. Among these, compound 1d exhibited the best inhibitory performance in fundamental electrochemical tests. Additionally, advanced quantum chemical calculations and molecular dynamics simulations were employed to elucidate the reasons behind the superior inhibition performance of compound 1d from molecular and adsorption energy perspectives. Consequently, compound 1d was selected for detailed investigation of its leveling effects in PCB microvia filling. Notably, 1d achieved a filling rate of 97.1% in PCB microvia experiments, highlighting its efficacy as a leveler. Furthermore, elemental analysis confirmed the chemical adsorption of compound 1d on the copper surface. Based on these experimental results, a plausible mechanism explaining the excellent leveling performance of compound 1d is proposed. These findings suggest that 1d is a promising candidate for microvia filling applications and provide valuable insights for the development and synthesis of new levelers. Future research will focus on optimizing the performance of 1d and exploring other novel levelers to further advance the field.
Design, Synthesis, and Biological Insights of Half Sandwich Ruthenium–Arene Schiff Base Complexes: Molecular Docking and DFT
Authors: Arshi Farha , Bano Swaila , Parveen Shama , Banerjee Monisha , Kushwaha Neeti K. , Singh Sudheer Kumar , Kumar Amarendra , Singh Ashok K. 
Published: January 2025

AbstractRuthenium complexes are gaining attention for their promising roles as chemotherapeutic and antimicrobial agents. In this study, three half sandwich organoruthenium(II) complexes, [(η6‐p‐cymene)Ru(L1)Cl]Cl [M1], [(η6‐p‐cymene)Ru(L2)Cl]Cl [M2], and [(η6‐p‐cymene)Ru(L3)Cl]Cl [M3], have been synthesized by reacting [{(η6‐p‐cymene)RuCl}2(μ‐Cl)2] with Schiff base ligands namely.N‐(Salicylidene)‐4‐toluidine (L1), N‐(Salicylidene)‐4‐aminobenzoic acid (L2), and N‐(Salicylidene)‐2‐hydroxyaniline (L3). These complexes have been characterized by elemental analysis, UV–vis., FTIR, multinuclear NMR and ESI‐MS spectroscopic methods. Computational analysis for these complex cations suggests distorted octahedral geometry around Ru(II) that is coordinated to azomethine nitrogen and phenoxide centers of the Schiff base ligand in bidentate mode, chloro and p‐cymene ligand in η6‐mode. Further, molecular electrostatic potential (MEP) values calculations have been performed to gain insights into the electronic properties and stability. Molecular docking studies reveal strong interaction between M1 and penicillin‐binding protein‐2 (PBP2), thereby highlighting its potential as an antibacterial agent against resistant bacteria. M1 exhibits over 90% inhibition against Mycobacterium tuberculosis at 12.5 µM and showcases potential anticancer activity against Human cervical cancer cells (SiHa). This study underscores the structural, computational, and biological significance of such class of ruthenium(II) complexes for biomedical applications.
Porous Nickel Oxide Nanostructures Grown on Carbon Paper for Electrochemical Hydrogen Peroxide Detection in Green Tea
Authors: Dash Anabadya , Patra Dulal Chandra , Deb Anwesha , Das Sudipta , Acharyya Debanjan , Mondal Suvra Prakash 
Published: January 2025

AbstractHydrogen peroxide (H2O2) shows an essential role in several biological processes and is frequently used as a preservative in food additive due to its inherent anti‐bacterial properties. In this report, an electrochemical H2O2 sensor was made up of porous NiO nanostructures grown on carbon paper (CP) electrodes. The growth of porous NiO nanostructures was confirmed by scanning electron microscopy, X‐ray diffraction, and X‐ray photoelectron spectroscopy studies. The sensor response was characterized by cyclic voltammetry and amperometric i–t study. The developed porous NiO‐deposited CP electrode demonstrated high sensitivity (∼40.35 mA mM−1 cm−2) in the linear detection range of 10 µM–1 mM. Such a paper‐based sensing electrode also exhibited an ultra‐low detection limit (∼3.87 nM), excellent stability, and selectivity. Real‐time H2O2 detection in green tea samples was investigated using the developed sensor for practical application.
Sequestration of Reactive Orange 16 Dye by Nitrogen‐Impregnated Terminalia arjuna Seed Biochar: Insights into Kinetics, Thermodynamics, Reusability, and Phytotoxicity Assessment
Authors: Kapoor Riti Thapar , Rafatullah Mohd , Siddiqui Masoom Raza , Singh Lakhveer 
Published: January 2025

AbstractThe present investigation deals with feasibility to use available biomass waste, Terminalia arjuna seed as cost‐effective sorbent for reactive orange 16 (RO16) dye elimination from wastewater. The present study centers around the modification of Terminalia arjuna seed biochar (TASB) by applying one‐step synthesis procedure, by using melamine as a nitrogen doping agent and phosphoric acid (H3PO4) as chemical activator. The effectiveness of the modified nitrogen‐doped Terminalia arjuna seed biochar (ND‐TASB) as sorbent was assessed on RO16 dye removal from aqueous medium. Surface morphology of synthesized sorbent was identified by Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). Modified ND‐TASB reflected enhancement in adsorption efficacy, at pH of 4, maximum removal of RO16 dye 95% was observed. By utilizing TASB and ND‐TASB as an adsorbent, elimination of RO16 dye from aqueous medium was examined under varying experimental conditions like pH, adsorbent amount, and exposure period were reported 1.5 and 1 g at 40, 60 min at pH of 4, respectively with RO 16 dye (200 mg/L concentration). Isotherm and kinetic results were appropriate with Langmuir isotherm and pseudo second‐order models. Maximum sorption efficiency of TASB was 2.51 mg g−1, whereas NB‐TASB exhibited 4.84 mg g−1, that is, 93% enhancement. Alterations in free energy (ΔG°), enthalpy (ΔH°), entropy (ΔS°) of adsorption process were analyzed to assess nature of adsorption phenomenon. The negative values of ΔG° confirms that adsorption phenomenon was spontaneous and feasible. Enthalpy value was −60.39 kJ mol−1 whereas ΔS° had 182.72 J K−1 for ND‐PKSB. Phytotoxicity study revealed that TASB or ND‐TASB treated RO16 dye solution enhanced pearl millet seedlings growth and biochemical variables with better growth with ND‐PKSB treated RO16 dye solution. Moreover, the regenerated adsorbents exhibited high efficiency for RO16 removal up to five consecutive cycles. These findings establish that modified ND‐TASB acts as durable, multifaceted, and recyclable environmentally benign sorbent with superior properties for its application at industrial scale.