bluuebunny/crossref_metadata_2025 huggingface dataset:
Dual‐Action Psoriasis Therapy: Antiproliferative and Immunomodulatory Effects via Self‐Locking Microneedles
Authors: Wang Zi Yi , Zhao Ze Qiang , Sheng Yu Jun , Chen Ke Jun , Chen Bo Zhi , Guo Xin Dong , Cui Yong
Published: October 2024

Psoriasis is a chronic, immune‐mediated disorder characterized by immune regulation disorders and abnormal keratinocyte proliferation. Deucravacitinib (Deu), a selective oral Tyrosine Kinase 2 (TYK2) inhibitor, shows promise in treating psoriasis but may cause systemic side effects and fail to address persistent localized thickened lesions. Herein, a self‐locking microneedle (MN) patch with a polyvinyl alcohol (PVA) inner ring loaded with Deu is developed, designed to penetrate the transdermal barriers and dissolve rapidly, downregulating the IL‐23/IL‐17 pathway and serve as the first line of defense against the spread of skin‐originated inflammation. Additionally, Calcipotriol (Cal), a vitamin D derivative, is incorporated into a methacrylated hyaluronic acid (HAMA) backing layer and outer ring that mimics occlusive administration, maintaining localized skin surface retention for prolonged anti‐proliferative therapy. The Deu@Cal MN demonstrates satisfactory adhesiveness due to swelling‐mediated mechanical interlocking via the outer ring, ensuring targeted drug release at lesion site. Besides its effectiveness in alleviating both skin inflammation and proliferation, it inhibits the differentiation of Th17 cells in the spleen, suggesting potential to reduce systemic inflammation. These findings offer a new therapeutic approach for treating psoriasis and other autoimmune and inflammatory conditions.
A Broad‐High Temperature Ceramic Capacitor with Local Polymorphic Heterogeneous Structures
Authors: Zheng Binglong , Lin Ying , Yang Haibo , Jing Hongmei , Nan Hu , Wang Yifei , Yao Fang‐Zhou , Wang Minquan , Yuan Qibin
Published: October 2024

Crafting high‐performance dielectrics tailored for pulsed power capacitors, in response to the escalating demands of practical applications, presents a formidable challenge. Herein, this work introduces a novel lineup of lead‐free ceramics with local polymorphic heterogeneous structures, defined by the formula (1‐x)[0.92BaTiO3‐0.08Sr(Mg1/2Ti3/4)O3]‐x(Na0.5Bi0.5)TiO3 (BT‐SMT‐xNBT). This innovative multi‐scale synergistic strategy, spanning from the atomic to grain scale, yields materials with a giant recoverable energy density (Wrec) of 10.1 J·cm−3 and an impressive energy efficiency (η) of 95.0%. The integration of linear end elements SMT can significantly mitigate the polarization hysteresis while concurrently boosting the breakdown strength, thus enhancing overall energy efficiency. Furthermore, the inclusion of NBT with high polarization serves to amplify domain size, thereby reinforcing the electric field‐induced polarization. This addition also stimulates the creation of polymorphic heterostructures, where tetragonal and rhombohedral nanodomains coexist, as validated by aberration‐corrected transmission electron microscopy. Notably, the BT‐SMT‐0.2NBT ceramics have demonstrated outstanding high‐temperature energy storage capabilities, with a Wrec of 7.2 J·cm−3 and an η of 92.2% at 150 °C, along with remarkable broad‐temperature stability (ΔWrec, Δη ≤ 4.0%, ≈20–150 °C). These achievements in this work propel the field toward more practical and durable solutions of energy storage dielectrics.
Surface Corrosion‐Resistant and Multi‐Scenario MoNiP Electrode for Efficient Industrial‐Scale Seawater Splitting
Authors: Hao Weiju , Ma Xunwei , Wang Lincai , Guo Yanhui , Bi Qingyuan , Fan Jinchen , Li Hexing , Li Guisheng
Published: October 2024

The construction of efficient and durable multifunctional electrodes for industrial‐scale hydrogen production presents a main challenge. Herein, molybdenum‐modulated phosphorus‐based catalytic electrodes (Mo‐NiP@NF) are prepared via mild electroless plating. Heteroatoms doping or heterostructures construction can reconfigure the intrinsic electronic structure of the pre‐catalyst and optimizes the key intermediates adsorption. Moreover, the (hypo/meta‐)phosphite anions (POxδ−) and molybdate ions (MoOxδ−) on the electrode surface of Mo‐NiP@NF afford resistance to chloride (Cl−) corrosion. Mo‐NiP@NF exhibits ultralow overpotentials of 278/550 and 282/590 mV at 1 A cm−2 during the hydrogen/oxygen evolution reaction (HER/OER) in alkaline simulated and real seawater, respectively, whereas catalytic overall seawater splitting (OWS) reach 1 A cm−2 at 1.96 and 1.97 Vcell. Remarkably, Mo‐NiP@NF maintains stable operation for 1500 h in OWS. The scalability of Mo‐NiP@NF allowing the assembly of proton exchange membrane (PEM) electrolyzer powered by photovoltaic energy, simulating a portable hydrogen‐oxygen respirator provides an oxygen/hydrogen flows of 160/320 mL min−1. Expanding further, the trace ruthenium‐loaded Mo‐NiP@NF catalyst sodium borohydride (NaBH4) hydrolysis achieving a hydrogen generation rate (HGR) of 11049.2 mL min−1 g−1. This work provides strategic innovations and optimization solutions for the economical and mild construction of multi‐scenario durable green energy conversion materials at industrial‐scale application.
Cobalt‐Catalyzed Synthesis of Functionalized Nordazepams and Benzimidazoquinazolines and Their Photophysical Properties
Authors: Suresh Sundararajan , Keerthana Pari , Khan Fazlurrahman Nawaz
Published: October 2024

An efficient and environmentally friendly one‐pot sequential synthesis of functionalized nordazepam and a benzimidazoquinazoline analogue is reported, utilizing cobalt as the metal catalyst. The reaction proceeds via either the α‐alkenylation or dehydrogenative sp3 C−H functionalization pathway. This transformation includes mild reaction conditions, operational simplicity, and good functional group tolerance. Additionally, this method is suitable for the gram‐scale synthesis of functionalized nordazepam and benzimidazoquinazoline compounds. Furthermore, the synthetic utility, photophysical properties and real‐life application of the synthesized derivatives were explored.
Base‐Catalyzed [4+2] Annulation of Ynones and Acetates for the Synthesis of 2‐Pyrones
Authors: Chen Ting , Ye Moudan , Huang Ting , Chen Zhichao , Shen Jinhai
Published: October 2024

An efficient, practical, and scalable Cs2CO3‐catalyzed [4+2] annulation reaction between ynones and acetates is presented, wherein ynones serve as the four‐atom annulation partners. This methodology facilitates the synthesis of substituted 2‐pyrones with yields ranging from good to excellent. The ready availability of the starting materials, coupled with the simplicity of the annulation protocol, renders this approach highly amenable to the preparation of a diverse range of 2‐pyrones. Furthermore, the feasibility of the reaction on a gram scale and its application in the synthesis of a potent and selective cyclooxygenase‐2 inhibitor underscore the practical significance and utility of this method.
Viral infection as an inciting event for development of chronic rhinosinusitis: A population‐based study
Authors: Khan Najm S. , Majeethia Heli , Provasek Vincent , Khan Faizaan , Mehdi Zain , Dhanda Aatin K. , Vrabec Jeffrey T. , McCoul Edward D. , Makary Chadi A. , Takashima Masayoshi , Ahmed Omar G.
Published: October 2024

Key points

Viral infections lead to a greater than twofold increased risk of developing chronic rhinosinusitis within 1 year.

Viral infections lead to a greater than twofold increased risk of developing chronic rhinosinusitis within 1 year.

Recurrent viral infections pose a greater risk of chronic rhinosinusitis than single episodes.
Binary Iron‐Manganese Cocatalyst for Simultaneous Activation of C−C and C−O Bonds to Maximally Utilize Lignin for Syngas Generation over InGaN
Authors: Yu Tianqi , Zhao Ying , Li Jingling , Li Yixin , Qiu Liang , Pan Hu , Salman Nasir Muhammad , Song Jun , Huang Zhen , Zhou Baowen
Published: October 2024

Solar‐powered lignin reforming offers a carbon‐neutral route for syngas production. This study explores a dual non‐precious iron‐manganese cocatalyst to simultaneously activate both C−C and C−O bonds for maximizing the utilization of various substituents of native lignin to yield syngas. The cocatalyst, integrated with InGaN nanowires on a Si wafer, affords a measurable syngas evolution rate of 42.4 mol gcat−1 h−1 from native lignin in distilled water with a high selectivity of 93 % and tunable H2/CO ratios under concentrated light, leading to a considerable light‐to‐fuel efficiency of 11.8 %. The high FeMn atom efficiency arising from the 1‐dimensional nanostructure of InGaN enables the achievement of a high turnover frequency (TOF) of 220896 mol syngas per mol FeMn per hour. Combined experimental and theoretical investigations reveal that the synergetic iron‐manganese cocatalyst supported by InGaN nanowires enables simultaneous activation of C−C and C−O bonds with comparable minimized dissociation energies, thus promising to maximally utilize different substituents of −OCH3, and −CH2CH2CH3 in lignin for syngas production. Moreover, the dual Fe‐Mn cocatalyst demonstrates a most energetically favorable route for the consecutive release of hydrogen from •CH3 and •OH by the oxidative holes while inhibiting the reversion of hydrogen and hydroxyl into water.
Near‐Infrared Light‐Driven CO2 Reduction on Cup‐Stacked Carbon Nanotubes
Authors: Song Suchan , Xin Cuncun , Liu Wei , Shang Wenzhe , Liu Tianna , Peng Wentao , Hou Jungang , Shi Yantao
Published: October 2024

Carbon nanotubes feature one‐dimensional nature of collective excitations, wherein strong confinement of surface plasmons severely hinders the liberation of hot electrons (HEs), posing grand challenges for their utilization in photochemistry. In this study, we prototypically achieved directed HEs flow and extraction in hybrid plasmonic CNN based on cup‐stacked carbon nanotubes (CSCNTs), taking advantage of their privileged edge‐plane sites. The localized pz electronic states and accessible intersubband plasmon excitations in the near‐infrared (NIR) regime stands in striking contrast to the conventional concentric carbon nanotubes, as evidenced by combined photo‐induced force microscopy (PiFM) and transient photocurrent response. The hybrid comprising intimately integrated CSCNTs‐C3N4 effectively sustains interfacial electronic states and underlies the energy extraction out of plasmonic components. The CNN demonstrates almost near‐unity NIR light‐driven CO2 reduction to CO with a rate of 1.35 μmol g−1 h−1. This work sheds light on the exploitation of metal‐free carbon‐based plasmonic nanostructures for photocatalytic applications.
Masked Divalent Reactivity of Heterobimetallic Lanthanide Isocarbonyl Complexes
Authors: Mondal Arpan , Tang Jinkui , Layfield Richard A.
Published: October 2024

A new rare‐earth reduction system is described in which trivalent yttrium and dysprosium react as though present in their unstable divalent oxidation state. This masked divalent reactivity is achieved using the isocarbonyl‐bridged dimers [(
M)(μ‐Fp)]2 (M=Y, 1Y; M=Dy, 1Dy; Cpttt=1,2,4‐C5tBu3H2; Fp=CpFe(CO)2), where the reducing electrons originate from the bridging [Fp]− ligands. The reactivity of 1Y and 1Dy is showcased by reducing the N‐heterocycles 2,2′‐bipyridyl (bipy), phenazine (phnz) and hexaazatrinaphthylene (HAN) to give corresponding mono‐, di‐ and tri‐metallic rare‐earth complexes, respectively, with the heterocyclic ligands present in their singly, doubly and triply reduced forms, respectively. The dynamic magnetic properties of the dysprosium compounds are described. Compound 1Dy is a single‐molecule magnet (SMM) with an appreciable energy barrier of 449(17) cm−1, whereas [(
Dy)2(μ‐phnz)] (3Dy) is not an SMM because of a strong, competing equatorial crystal field. Surprisingly, [(
Dy)3(HAN)] (4Dy) is also not an SMM, the origins of which are traced to the impact of the tert‐butyl substituents on the dysprosium centre and its interaction with the radical [HAN]3− ligand.
Nuclear Quantum Effects Have a Significant Impact on UV/Vis Absorption Spectra of Chromophores in Water
Authors: Tsuru Shota , Sharma Bikramjit , Hättig Christof , Marx Dominik
Published: October 2024

Despite the broadly acknowledged importance of solvation effects on measured UV/Vis spectra in the context of solvatochromism or chemical reactions in solution, it is still an open challenge to calculate UV/Vis spectra with predictive accuracy. This is particularly true when it comes to the impact of nuclear quantum effects on these experimental observables. In the present work, we calculate the UV/Vis absorption spectrum of indole in aqueous solution with a combination of a correlated wavefunction method for computing electronic excitation energies and enhanced path integral simulations for rigorous sampling of nuclear configurations including the quantum effects in solution. After validating our approach based on gas‐phase benchmarking, we demonstrate that the lineshape of the spectrum measured in aqueous solution is quantitatively recovered, without the application of any shifting, scaling, or broadening, only after including nuclear quantum effects in addition to thermal fluctuations and solvation at ambient conditions. Our findings demonstrate that nuclear quantum effects are “visible” in UV/Vis spectra of chromophores measured in solution even at room temperature and, therefore, that they must be considered computationally to achieve predictive accuracy.
Atomic Infusion Induced Reconstruction Enhances Multifunctional Thermally Conductive Films for Robust Low‐Frequency Electromagnetic Absorption
Authors: Rao Longjun , Huang Mengqiu , Wang Xinglong , Qian Yuetong , Yan Zhikai , Wang Lei , Li Qingqing , Che Renchao
Published: October 2024

Deterministic fabrication of highly thermally conductive composite film with satisfying low‐frequency electromagnetic (EM) absorption performance exhibits great potential in advancing the application of 5G smart electric devices but persists challenge. Herein, a multifunctional flexible film combined with hetero‐structured Fe6W6C‐FeWO4@C (FWC−O@C) as the absorber and aramid nanofibers (ANFs) as the matrix was prepared. Driven by an atomic gradient infusion reduction strategy, the carbon atoms of absorbers can be precisely relocated from carbon shell to core oxometallate lattice, triggering in situ carbothermic reduction for customization of unique oxometallate‐carbide heterojunctions and surface geometrical structure. Such an atoms reconstruction process effectively regulates interface electronic structure and magnetic configuration, resulting in enhanced polarization loss from abundant heterointerfaces and crystal defects and magnetic loss from hierarchical structure endowed magnetic coupling interaction, which jointly contributes to the efficient low‐frequency EM absorption performance. Eventually, optimized FWC−O@C microplate exhibits a broad absorption bandwidth surpassed the entire C band, and the assembled FWC−O@C/ANFs composite film also performs a high thermal conductivity over 2500 % higher than that of the pure ANFs. These findings provide a new insight into the atomic reconstruction affected EM properties and a generalized methodological guidance for preparing multifunctional thermally conductive composite films.
Chemoselective Ring‐Opening Polymerization of α‐Methylene‐δ‐valerolactone Catalyzed by a Simple Organoaluminum Complex to Prepare Closed‐Loop Recyclable Functional Polyester
Authors: Yan Qin , Ma Jiashu , Pei Weijie , Zhang Yaxin , Zhong Ronglin , Liu Shaofeng , Shen Yong , Li Zhibo
Published: October 2024

α‐Methylene‐δ‐valerolactone (MVL) as a bio‐renewable bifunctional monomer has shown great promise to prepare closed‐loop recyclable polyester with pendent functionalizable double bond. However, the chemoselective ring‐opening polymerization (ROP) of MVL still faces challenges including low polymerization temperature, expensive catalyst as well as high catalyst loading. In this contribution, we present the chemoselective and controlled ROP of MVL using a simple organoaluminum complex [MeAl(BHT)2] (BHT=2,6‐di‐tert‐butyl‐4‐methylphenoxy), which can be easily prepared from commercially available trimethylaluminum and 2,6‐di‐tert‐butyl‐4‐methylphenol without purification. MeAl(BHT)2 exhibits much higher catalytic activity (TOF=668 h−1) than that of MeAl[Salen] (TOF=89 h−1), a commonly used organoaluminum catalyst. The high chemoselectivity and activity of MeAl(BHT)2 is proposed to originate from the cooperative activation of propagating chain‐ends and monomers via the “coordination‐insertion” mechanism. Remarkably, high‐molecular‐weight P(MVL)ROP can be prepared in bulk using MeAl(BHT)2, which is not accessible by the previous catalysts. This study may advance the development of closed‐loop recyclable polymers considering the easy preparation, low cost and good catalytic performance of MeAl(BHT)2.
Effect of problem‐solving training for mothers of children with special needs: A randomised controlled study
Authors: Gökalp Kübra , Karakurt Nurgül
Published: October 2024

This study investigates the effect of problem‐solving training on the interpersonal problem‐solving skills of mothers of children with special needs. The parallel randomised controlled trial was conducted between August 2021 and March 2022. A priori power analysis was conducted, and 98 mothers who met the inclusion criteria were included in the study. The analysis indicated that a sample size of 39 participants per group was required. Data were collected using a personal information form and the Interpersonal Problem Solving Inventory. The mothers were divided into control and experimental groups. The participants in the experimental group were given a problem‐solving training program, while the control group was not exposed to any intervention. There was no significant difference in the pre‐training test scores for any of the dimensions (p > 0.05). However, the post‐training test scores in the experimental group were significantly higher than post‐training test scores in the control group (p < 0.05). There were significant differences between the pre‐training and post‐training test scores in the experimental group (p < 0.05). Interpersonal problem‐solving skills can be improved by providing problem‐solving training to the mothers of children with special needs. Based on the findings of this study, it is recommended that psychiatric nurses provide training to protect and improve the wellbeing of children with special needs and their families.
Cu (ii) Immobilized on Mesoporous Poly (Guanidine–Triazine–Sulfonamide) (PGTSA/Cu): A New Catalyst for the Synthesis of Tetrazolo[1,5‐a]pyrimidines
Authors: Ghiai Ramin , Alavinia Sedigheh , Ghorbani‐Vaghei Ramin , Khazaei Ardeshir
Published: October 2024

The study focuses on the synthesis and characterization of a new mesoporous polysulfonamide stabilizer using condensation polymerization and the nanocasting technique. The resulting material, PGTSA, was modified with copper ions and used as a nanocatalyst in the reaction of benzaldehydes, 1H‐tetrazole‐5‐amine, and malononitrile. The performance of the mesoporous PGTSA/Cu (II) was compared with non‐porous PGTSA/Cu (II), highlighting the significance of support porosity in catalytic activity and loading of copper species. Based on the analysis of the ICP and catalytic performance, it was observed that mesoporous PGTSA/Cu (II) exhibited a higher level of catalytic activity compared to PGTSA/Fe3O4/Cu (II) and non‐porous PGTSA/Cu (II). Also, the catalytic activity of the aryl aldehyde was significantly influenced by its electrical characteristics. The recovery and reusability of the PGTSA/Cu (II) catalyst are noteworthy aspects, highlighting the practicality and sustainability of the catalytic system. The amount of copper in fresh catalyst and the recycled catalyst after six times recycling is 1.57% and 1.52%, respectively. Therefore, ICP‐OEIS analysis indicated that copper leaching of this catalyst is very low. The procedure offered high product yields, easy recovery of the nanocatalyst, remarkable reusability, short reaction times, and compatibility with various substrates.
Sol–Gel Fabrication of Sm‐Doped MnTiO3 Perovskite Electrode for Enhanced Oxygen Evaluation Reaction
Authors: Bibi Iqra , Alrowaily Albandari W. , Alotaibi B. M. , Alyousef Haifa A. , Alotiby Mohammed F. , Dahshan A. , Ahmad Khursheed , Saleem Muhammad
Published: October 2024

Excessive usage of fossil fuels has led to significant depletion, creating an energy crisis and environmental concerns. This has prompted the creation of sustainable energy conversion systems. This study explores sol–gel incorporation of Sm‐doped MnTiO3 nanostructure, which exhibits OER activity. Different analytical techniques were used to assess the material's morphology, structure, and textural properties. BET analysis confirmed increased surface area (34 m2 g−1) of Sm‐doped MnTiO3 nanostructure, which enhanced OER performance. The electrochemical results showed that the fabricated doped nanostructure had a lower overpotential of 201 mV, resulting in a current density of roughly 10 mA cm−2 and a Tafel slope of 40 mV dec−1. In EIS analysis, a low Rct value of Sm‐doped MnTiO3 (0.20 Ω) compared with pure MnTiO3 (0.23 Ω) indicates highly efficient charge transfer and a faster faradaic reaction. Chronoamperometry and cyclic stability analyses of Sm‐doped MnTiO3 nanostructure demonstrate stability over 35 h. The fabricated nanostructure has remarkable electrochemical characteristics, making it a promising material for future applications in electrical and other areas.
Synthesis, Characterization, and Biological Investigation of Antimony(III) Halide Complexes With Different Coordination Architectures Constructed From Thiophene Thiosemicarbazones
Authors: Ucar Okan , Ozturk Ibrahim I. , Grześkiewicz Anita M. , Kubicki Maciej , Banti Christina N. , Hadjikakou Sotiris K.
Published: October 2024

In this study, we report the synthesis, characterization, and biological investigation of antimony(III) halide complexes with various coordination architectures constructed from thiophene thiosemicarbazones. Antimony(III) thiophene‐2‐carbaldehyde thiosemicarbazone complexes (1, 2, 4, and 5) exhibit a square pyramidal geometry, with ligands coordinated to the central antimony atom in two distinct binding modes. In contrast, antimony(III) 2‐acetylthiophene thiosemicarbazone complexes (3, 6, and 7) adopt a seesaw geometry. These complexes (1–7) represent the first reported examples of antimony(III) halide thiosemicarbazone compounds. The unique coordination environments observed in these complexes are of significant importance within the realm of antimony chemistry. These synthesized complexes exhibit different coordination geometries as well as potential biological activities. The antiproliferative activity against the human breast adenocarcinoma (MCF‐7) cell line and antimicrobial activity against Gram‐positive and Gram‐negative bacteria were assessed. Antimony(III) thiophene‐2‐carbaldehyde thiosemicarbazone complexes (1, 2, 4, and 5) showed significant antiproliferative activity with IC50 values ranging from 8.5 to 19.1 μM, while antimony(III) 2‐acetylthiophene thiosemicarbazone complexes (3, 6, and 7) had higher IC50 values. Additionally, the antimony complexes demonstrated selective antimicrobial activity against Gram‐negative bacteria.
Investigating the synergistic effects of carbon and glass fibers on the mechanical and thermal properties of phenol‐containing phthalonitrile composites
Authors: Daham Abbas , Zegaoui Abdeldjalil , Gorar Athar Ali Khan , Zhicheng Wang , Wang Jun , Tian Bo , Pan Zhong‐Cheng , Liu Wen‐Bin , Derradji Mehdi
Published: October 2024

The progressive development of lightweight composites exhibiting desirable thermo‐mechanical properties is an area of growing interest, particularly with the phthalonitrile (PN) based composites, which have shown great potential. However, our understanding of the mechanical and thermal properties of the phenol‐containing phthalonitrile (PN75) resin composites often reveals limitations that make them less suitable for specific structural applications. In this work, we focused on enhancing the mechanical and thermal properties of the PN75 resin through the incorporation of the 4‐aminophthalonitrile (4‐APN), resulting in improved the curing behaviors and increased thermal stability. Our investigation of the short carbon fiber (SCF) and short glass fiber (SGF) reinforced PN75 resin composites revealed that the hybrid SCF/SGF‐based composites at 15 wt% SCF and 15 wt% SGF content exhibited an excellent tensile and the flexural strength. Additionally, the thermogravimetric analysis demonstrated maximum onset degradation and decomposition temperatures at this ratio compared with the neat resin, also we evaluated the interfacial adhesion properties of the SCF/SGF and the PN75 resin composites. These findings contribute to the advancement of polymer composite materials and expand their potential applications across various industries.
Surface modification of talc powder by silane functionalized polycarboxylates and its effect on the performance of polyvinyl chloride composite
Authors: Xu Xue , Sun Xiaofei , Zhang Mucun , Zhang Haiqi , Liu Hongming , Xu Shiai
Published: October 2024

In this work, modified polycarboxylates were prepared by copolymerizing γ‐Methacryloxy propyl trimethoxyl silane (KH‐570) with acrylic acid and allyl polyoxyethylene ether. Fourier transform infrared (FTIR) spectroscopy and nuclear magnetic resonance (NMR) indicate that silane copolymerized polycarboxylates have been successfully synthesized. The talc powder (TP) modified with synthesized polycarboxylate and modified polycarboxylates was blended with polyvinyl chloride (PVC) to prepare composite films. FTIR and x‐ray photoelectron spectroscopy (XPS) were used to determine changes in the surface properties of unmodified and modified TP. The effects of TP and polycarboxylate‐modified TP on the tensile properties, light transmission and moisture transmission of the PVC composite films were investigated. Compared with untreated TP filled PVC film, the PVC composite films filled with organosilicon polycarboxylate‐modified TP exhibit enhanced tensile strength, light transmittance, barrier, and other properties. Especially, the tensile strength of PVC composite film filled with 7 wt% Si0.5‐PCE modified TP is increased by 19.5% and the elongation at break is increased by 21.6%. In addition, the moisture permeability of the composite film is reduced by a maximum of 80.6% compared with the pure PVC film.
3D Graphene‐Like Carbon Structures from Poly(Acrylic Acid): A Novel Synthetic Route
Authors: Simões Ana L. A. , de Carvalho Lílian A. , Lago Rochel M. , Ronconi Célia M. , Vieira Sara S. , Araujo Maria H.
Published: October 2024

Emerging contaminants, such as the hormone 17α‐ethynylestradiol (EE), in aquatic environments pose a serious risk to both human and environmental health, making efficient removal essential. This study evaluated the effectiveness of three‐dimensional porous carbon structures derived from poly(acrylic acid) (PAAc, Carbopol 990) as adsorbents for removing EE from aqueous solutions. Activated carbon materials were prepared using varying ratios of KOH as an activating agent (PAAc : KOH; 1 : 0 AAC, 1 : 1 AC1, 1 : 2 AC2, and 1 : 3 AC3). Adsorption tests were conducted by adding 10 mg of the adsorbent to 40 mL of an EE solution (100 ppm, 20 % acetonitrile in water). Analyses including TGA, XRD, and Raman spectroscopy were performed to evaluate the materials’ structural properties and adsorption capacities. Among the materials, AC3 exhibited the highest adsorption capacity for EE (238 mg g−1), followed by AC2 (153 mg g−1) and AC1 (82 mg g−1). The superior efficiency of AC3 can be attributed to its larger surface area and pore volume, enabling greater interaction with EE molecules. These materials demonstrated higher adsorption capacities compared to commercial activated carbons and single‐walled carbon nanotubes. This work opens new possibilities for developing efficient adsorbents, contributing to more effective and sustainable solutions for water purification and environmental protection.
The Replication of Equivalence Studies
Authors: Micheloud Charlotte , Held Leonhard
Published: October 2024

Replication studies are increasingly conducted to assess the credibility of scientific findings. Most of these replication attempts target studies with a superiority design, but there is a lack of methodology regarding the analysis of replication studies with alternative types of designs, such as equivalence. In order to fill this gap, we propose two approaches, the two‐trials rule and the sceptical two one‐sided tests (TOST) procedure, adapted from methods used in superiority settings. Both methods have the same overall Type‐I error rate, but the sceptical TOST procedure allows replication success even for nonsignificant original or replication studies. This leads to a larger project power and other differences in relevant operating characteristics. Both methods can be used for sample size calculation of the replication study, based on the results from the original one. The two methods are applied to data from the Reproducibility Project: Cancer Biology.
Fabrication of Luminescent Titanium Dioxide Nanoparticles in a Biocompatible Approach: Its Potential for Photodecomposition and Germicidal Effects
Authors: Sajeevan K. , Vijayakumar S. , Vasantha S. , Prathipkumar S. , Al‐Ansari Mysoon M. , Srinivasan P. , Vidhya E.
Published: October 2024

The fabrication of the green strategy of metallic oxide creation provides considerable profits via a minimum of effort, making it an acceptable substitute to the most laborious and challenging conventional processes. The suggested approach involved the creation of titanium dioxide (TiO2) nanoparticles through Orthosiphon stamineus extracts of leaves. The synthesized nanoparticles (NPs) were then characterized using XRD, FT‐IR, FE‐SEM with EDX, and UV–visible spectroscopy. UV–visible spectroscopy validated the presence of optical imperfections in the TiO2 NPs at frequencies of 286 nm. This research specifically focused on examining the photodecomposition and germicidal traits of NPs. Initiatives aimed must be made to mitigate the hazardous effects of TiO2 NPs in an ecologically sensitive way throughout their production. Exposing the dye methylene blue (MB), a major water polluting produced by garment manufacturing, to TiO2 NPs resulted in a considerable increase in photodecomposition efficiency. The photodecomposition process exhibited a rate of breakdown of 83%. The findings indicate that the diameter inhibition zone exhibits the most potent resistance versus pathogenic microorganisms. These results have led to the identification of a long‐term, sustainable, and ecologically beneficial solution for removing pollutants from water and biological properties.
Treatment of obstructive sleep apnea with CPAP improves daytime sleepiness and fatigue in cancer patients
Authors: Ganjaei Kimia G. , Wong Karen A. , Strauss Shiela M. , Carlsson Sigrid V. , Barton‐Burke Margaret , Tan Miranda
Published: October 2024

Background

Fatigue and sleep disorders are prevalent in cancer patients. Obstructive sleep apnea (OSA) commonly causes excessive daytime sleepiness (EDS) and fatigue. We hypothesize that treating cancer patients with OSA using positive airway pressure (PAP) will improve EDS and fatigue.

Methods

A retrospective chart review of sleep clinic visits of cancer patients with newly diagnosed OSA was performed. Epworth Sleepiness Scale (ESS) and fatigue reported at baseline and within 6 months of starting PAP therapy were compared between PAP‐adherent and PAP‐non‐adherent patients.

Results

65 cancer patients with OSA and ESS >10 were recommended PAP therapy, including 45 patients with fatigue. 29 patients pursued PAP therapy with 79% (n = 23) adherent at follow‐up. The median baseline apnea hypopnea index (AHI) for OSA was 24.0 (interquartile range [IQR] 14.3, 32.3) and 23.8 (IQR 10.1, 42.8) events/hour among PAP‐adherent and PAP‐non‐adherent patients, respectively (p = 0.90). Median baseline ESS was 14.0 (IQR 12.0, 17.0) among adherent and 17.0 (IQR 11.0, 17.3) among non‐adherent patients (p = 0.73). The median ESS at follow‐up of the adherent and non‐adherent groups was 8.0 (IQR 6.0, 10.0) and 11.0 (IQR 8.0, 15.8), respectively (p = 0.08). Median ESS change was −5.0 (IQR −7.0, −4.0) in PAP adherent patients and −2.5 (IQR −5.25, −1.50) in PAP‐non‐adherent patients (p = 0.07). When the groups are examined separately, the median change in the PAP‐adherent group was highly significant (p = 0.001), while the ESS median change in the PAP‐non‐adherent group was considerably less (p = 0.04). 17 out of the 21 PAP‐adherent patients reporting fatigue at baseline indicated improvement at follow‐up.

Conclusions

PAP therapy for OSA in cancer patients improves EDS and fatigue. Larger studies are necessary to evaluate the efficacy of PAP in improving fatigue in this population.
Phenolic Profile of Seedless Ziziphus mauritiana Fruits and Leaves Extracts with In Vivo Antioxidant and Anti‐Inflammatory Activities: Influence on Pro‐Inflammatory Mediators
Authors: Khanam Arifa , Ijaz Hussain Abdullah , Mohammed Esraa Haji , Nahar Lutfun , Rathore Hassaan A.
Published: October 2024

The present study aimed to assess the antioxidant and anti‐inflammatory activities of polyphenol‐rich extracts of seedless variety of Ziziphus mauritiana (SZM). Reverse Phase High Performance Liquid Chromatography (RP‐HPLC) analysis of SZM leaves and fruit extracts in ethanol revealed the presence of sixteen phenolics including chlorogenic acid, p‐coumeric acid, gallic acid, kaempferol, rutin and quercetin. Leaf extract showed higher total phenolic and total flavonoid contents (177.6 mg/100 g and 46.2 mg/100 g) than in fruit extract (137.8 mg/100 g and 14.1 mg/100 g). The leaf extract exhibited higher DPPH radical‐scavenging activity (63.5 %) than the fruit extract (58.2 %). The anti‐inflammatory activity was evaluated on carrageenan‐induced rat model and suppression of inflammatory biomarkers (Interleukin‐6, Tumor necrosis factor‐α and CRP) were studied. The fruit extract exhibited remarkable inhibition (98.1 %) at the dose level of 500 mg/kg body weight (BW), comparable to the standard drug indomethacin (98.4 %). Both extracts suppressed the inflammatory biomarkers and more pronounced results showed by the fruit extract including CRP, IL‐6, and TNF‐α. The leaf extract demonstrated the higher antioxidant potential as evident from the superoxide dismutase, catalase, malondialdehyde, glutathione peroxidase and glutathione levels. These findings suggest that SZM leaf and fruit extracts possess potential antioxidant and remarkable anti‐inflammatory properties and can play a significant role in mitigating oxidative stress.
Traditional Versus Distal Radial Access for Coronary Diagnostic and Revascularization Procedures: Final Results of the TENDERA Multicenter, Randomized Controlled Study
Authors: Babunashvili Avtandil M. , Pancholy Samir , Zulkarnaev Aleksei B. , Kaledin Alexander L. , Kochanov Igor N. , Korotkih Alexander V. , Kartashov Dmitriy S. , Babunashvili Mikhail A.
Published: October 2024

Background

Traditional transradial access (TRA) is widely used for coronary and non‐coronary interventions with significant improvements in procedural outcomes; however, it is associated with RAO that precludes repeat use of the same artery for possible future TRI and other purposes. Distal radial access (DRA) has been proposed as an effective alternative to decrease RAO rates. Published literature describing the RAO rate after DRA versus TRA from various RCT and clinical registries has shown conflicting results.

Objectives

This study compared the forearm radial artery occlusion (RAO) rate assessed by Doppler ultrasound between distal and conventional radial access at 1‐year follow‐up after the initial procedure.

Methods

TENDERA was a multicenter, randomized controlled study comparing DRA versus TRA for coronary diagnostic and interventional procedures using 5 or 6F hydrophilic‐coated sheaths. The primary endpoint was forearm RAO at 12 months after radial access. The secondary endpoints included puncture time, sheath insertion and total procedure time, radiation dose, and vascular access site‐related complications.

Results

Eight hundred and fifty patients were randomized to either TRA (n = 418) and DRA (n = 432) groups. In the intention‐to‐treat analysis, the rate of forearm RAO at 12 months was observed in 39 patients (4.6%) and was significantly reduced in the DRA group compared with the TRA group (2.5% vs. 6.7%, RR 2.59 [95% CI 1.29–5.59], p = 0.010). Analysis in per protocol population has shown consistent results with forearm RAO rate 2.8% in the DRA group versus 6.5% in the TRA group (p = 0.008). The crossover rate was higher (4.6% vs. 1%, p = 0.013) and median hemostasis time was shorter (156.5 min vs. 180 min, p < 0.001) with DRA. Overall bleeding (BARC 1–2) and postprocedure hematoma > 5 cm occurred less frequently in the DRA group compared with the TRA group (3.2% vs. 20.5%, p < 0.001% and 9.0% vs. 27.0%, p < 0.001, respectively). No significant differences were observed in total procedure time and radiation dose between groups.

Conclusions

DRA for coronary diagnostic and interventional procedures is associated with reduced forearm RAO rate and shorter hemostasis time, but a longer sheath insertion time and higher crossover rate compared with TRA.

Trial Registration

ClinicalTrials.gov: NCT04211584.
N‐Heterocycle‐Substituted Hexa‐peri‐Hexabenzocoronenes with Windmill Architectures
Authors: Mörsel Sven , Ritterhoff Christian L. , Kellner René , Meyer Bernd , Hirsch Andreas
Published: October 2024

We describe the synthesis and computational investigation of N‐heterocycle‐substituted hexa‐peri‐hexabenzocoronenes (HBCs). Following our method for the preparation of thioether‐substituted HBCs, we prepared pyrrole‐, indole‐, carbazole‐, and 1H‐benz[g]indole‐substituted HBCs from the corresponding fluorinated precursors under microwave irradiation. A series of polysubstituted benzoindole‐HBCs with windmill architectures was also synthesized using the polyfluorinated HBC analogs, and the substituent effects on the electronic properties of the HBC core were investigated. Similar to the thioether substituted HBCs, the nature of the heterocycle does not influence the optoelectronic properties of the HBC core. The attachment of multiple benzoindole substituents leads to a bathochromic shift of the absorption and emission spectra, comparable to our previous studies. Due to the circular arrangement of the benzoindole moiety, the attachment of multiple substituents results in the presence of multiple conformers at room temperature. The rotation barrier can be overcome by heating the compounds to 323–333 K. Additionally, the investigation of the relaxed geometries shows two π‐stacking motifs within the conformers.
3D printing in and for chemistry lessons
Authors: Zell Lukas , Friedrich Jens
Published: October 2024

Als additives Fertigungsverfahren gewinnt der 3D‐Druck in zahlreichen naturwissenschaftlichen und technischen Bereichen zunehmend an Bedeutung. Damit wird diese Technologie auch in der schulischen Berufsvorbereitung relevant. In diesem Artikel werden Möglichkeiten beleuchtet, wie diese innovative Technologie im Chemieunterricht integriert werden kann. Mit nur wenig Aufwand lassen sich hochwertige Unterrichtsmaterialien wie Modelle und ausgeklügelte Lernspiele herstellen. Mit etwas mehr Engagement und CAD‐Know‐how werden maßgeschneiderte Lösungen möglich. Die Kosten für Lehrmaterial sind daher deutlich geringer als gewöhnlich. Zudem kann der 3D‐Druck selbst ein Lerninhalt sein, bei dem Schüler Kunststoffe mit ihren typischen Eigenschaften als Werkstoffe kennen lernen und den Harzdrucker als Anwendung der radikalischen Polymerisation verstehen. Der Umgang mit digitalen Tools für den 3D‐Druck fördert in motivierender Weise die digitalen Kompetenzen, welche zunehmend für Lehrer und Schüler relevant werden.
MuDRA‐Based Virtual Screening of Terpenes for Anti‐Leishmania Infantum Activity: In Vitro Validation and Mechanistic Insights from Molecular Docking
Authors: Barros de Menezes Renata Priscila , Ferreira de Sousa Natália , Herrera‐Acevedo Chonny , Santos Aquino de Araújo Rodrigo , Durand Trigueiro Lira Nikole , Fechine Tavares Josean , Jorge Kato Massuo , Alex da Rocha Coelho Francisco , Sousa dos Santos Airton Lucas , Antonio da Franca Rodrigues Klinger , Bezerra Mendonça‐Júnior Francisco Jaime , Scotti Luciana , Tullius Scotti Marcus
Published: October 2024

Leishmaniasis, caused by Leishmania parasites, presents a major global health challenge due to limitations of existing treatments, including toxicity, side effects, drug resistance, and high costs. This study utilized the MuDRA (Multi‐Descriptor Read Across) model for virtual screening to identify potential anti‐Leishmania infantum compounds. A set of 15 terpenes and steroids was screened, leading to the identification of four promising candidates—lupeol, xylodiol, morolic acid, and trachyloban‐18‐oic acid. These compounds demonstrated significant activity in both virtual screening and in vitro assays. To elucidate their potential mechanisms of action, we conducted molecular docking and dynamics studies, which revealed stable interactions with key target enzymes, such as trypanothione reductase and 14‐alpha demethylase (CYP51), crucial to the parasite's survival and pathogenesis. These findings provide valuable insights into novel mechanisms for targeting leishmaniasis, offering a promising basis for the development of new therapeutics. The integration of computational and experimental methods in this study not only advances our understanding of potential anti‐leishmanial agents but also highlights the effectiveness of this approach in discovering new drugs for neglected diseases. Further in vivo studies and clinical trials will be essential to validate the therapeutic potential of these.
Combined analysis of the MF18‐02/MF18‐03 NEOSENTITURK studies: ypN‐positive disease does not necessitate axillary lymph node dissection in patients with breast cancer with a good response to neoadjuvant chemotherapy as long as radiotherapy is provided
Authors: Muslumanoglu Mahmut , Cabioglu Neslihan , Igci Abdullah , Karanlık Hasan , Kocer Havva Belma , Senol Kazim , Mantoglu Baris , Tukenmez Mustafa , Çakmak Guldeniz Karadeniz , Ozkurt Enver , Gulcelik Mehmet Ali , Emiroglu Selman , Mollavelioglu Baran , Yildirim Nilufer , Bademler Suleyman , Zengel Baha , Trabulus Didem Can , Ugurlu Mustafa Umit , Uras Cihan , Ilgun Serkan , Akgul Gokhan Giray , Akcan Alper , Yormaz Serdar , Ersoy Yeliz Emine , Ozbas Serdar , Dilege Ece , Citgez Bulent , Bolukbasi Yasemin , Altınok Ayse , Dag Ahmet , Basaran Gül , Utkan Nihat Zafer , Ozcinar Beyza , Arici Cumhur , AlJorani Israa , Kara Halil , Yigit Banu , Sen Ebru , Erozgen Fazilet , Soyder Aykut , Celik Burak , Kilic Halime Gul , Zer Leyla , Sakman Gürhan , Yeniay Levent , Atahan Kemal , Varol Ecenur , Veliyeva Vefa , Goktepe Berk , Velidedeoglu Mehmet , Karaman Niyazi , Soran Atilla , Aydiner Adnan , Yılmaz Ravza , Ibis Kamuran , Ozmen Vahit
Published: October 2024

Background

The omission of axillary lymph node dissection (ALND) remains controversial for patients with residual axillary disease after neoadjuvant chemotherapy (NAC), regardless of the residual burden. This study evaluated the oncologic safety and factors associated with outcomes in patients with residual axillary disease. These patients were treated solely with sentinel lymph node biopsy (SLNB) or targeted axillary dissection (TAD), without ALND, after NAC.

Methods

A joint analysis of two different multicenter cohorts—the retrospective cohort registry MF18‐02 and the prospective observational cohort registry MF18‐03 (NCT04250129)—was conducted between January 2004 and August 2022. All patients received regional nodal irradiation.

Results

Five hundred and one patients with cT1‐4, N1‐3M0 disease who achieved a complete clinical response to NAC underwent either SLNB alone (n = 353) or TAD alone (n = 148). At a median follow‐up of 42 months, axillary and locoregional recurrence rates were 0.4% (n = 2) and 0.8% (n = 4). No significant difference was found in disease‐free survival (DFS) and disease‐specific survival (DSS) rates between patients undergoing TAD alone versus SLNB alone, those with breast positive versus negative pathologic complete response, SLN methodology, total metastatic LN of one versus ≥2, or metastasis types as isolated tumor cells with micrometastases versus macrometastases. In the multivariate analysis, patients with nonluminal pathology were more likely to have a worse DFS and DSS, respectively, without an increased axillary recurrence.

Conclusions

The omission of ALND can be safely considered for patients who achieve a complete clinical response after NAC, even if residual disease is detected by pathologic examination. Provided that adjuvant radiotherapy is administered, neither the SLNB method nor the number of excised LNs significantly affects oncologic outcomes.
Optimizing Synthesis of Anionic Surfactant‐Modified Carbon Black for Enhanced Ammonium Adsorption
Authors: Mohamed Nurul Balqis , Ngadi Norzita , Rushdan Ahmad Ilyas , Yahya Noor Yahida , Mohamed Noor Mohamed Hizam , Inuwa Ibrahim Mohammed , Opotu Lawal Anako , Abu Bakar Aznizam , Nazir Shah Ismail Ya Mohammad , Ali Noorhalieza
Published: October 2024

The increasing levels of ammonium in wastewater pose serious environmental issues, highlighting the urgent need for effective adsorbents to facilitate its removal. Although conventional biological treatment methods have certain drawbacks, adsorption using carbonaceous materials, such as carbon black produced from waste tires, presents a promising alternative for ammonium removal. However, the use of these materials has not been thoroughly investigated. This study focuses on optimizing the synthesis of carbon black modified with anionic surfactants to improve its capacity for ammonium adsorption. Utilizing Response Surface Methodology (RSM) and a Box‐Behnken design, the optimization process examined key variables, including reaction time, surfactant concentration, carbon black dosage, and surfactant type. Comprehensive characterization of the adsorbent was conducted to analyze its surface properties, functional groups, morphology, and elemental composition. The regression models produced highly accurate results with an R2 value of 0.9437. The optimal synthesis conditions were identified as a 12.30‐hour reaction time, a surfactant concentration of 8 mmol/L of sodium dodecylbenzene sulfonate, and a carbon black dosage of 30 g, achieving an ammonium removal efficiency of 84.80 %. This study offers a scalable solution for ammonium removal in wastewater, promising practical applications and future sustainable waste management research.