bluuebunny/crossref_metadata_2025_split huggingface dataset:
Atomic Confinement Empowered CoZn Dual‐Single‐Atom Nanotubes for H2O2 Production in Sequential Dual‐Cathode Electro‐Fenton Process
Authors: Yang Lijun , Cheng Huimin , Li Hui , Sun Ga , Liu Sitong , Ma Tianyi , Zhang Lei 
Published: June 2024

AbstractSingle‐atom catalysts (SACs) are flourishing in various fields because of their 100% atomic utilization. However, their uncontrollable selectivity, poor stability and vulnerable inactivation remain critical challenges. According to theoretical predictions and experiments, a heteronuclear CoZn dual‐single‐atom confined in N/O‐doped hollow carbon nanotube reactors (CoZnSA@CNTs) is synthesized via spatial confinement growth. CoZnSA@CNTs exhibit superior performance for H2O2 electrosynthesis over the entire pH range due to dual‐confinement of atomic sites and O2 molecule. CoZnSA@CNTs is favorable for H2O2 production mainly because the synergy of adjacent atomic sites, defect‐rich feature and nanotube reactor promoted O2 enrichment and enhanced H2O2 reactivity/selectivity. The H2O2 selectivity reaches ∼100% in a range of 0.2–0.65 V versus RHE and the yield achieves 7.50 M gcat−1 with CoZnSA@CNTs/carbon fiber felt, exceeding most of the reported SACs in H‐type cells. The obtained H2O2 is converted directly to sodium percarbonate and sodium perborate in a safe way for H2O2 storage/transportation. The sequential dual‐cathode electron‐Fenton process promotes the formation of reactive oxygen species (•OH, 1O2 and •O2−) by activating the generated H2O2, enabling accelerated degradation of various pollutants and Cr(VI) detoxification in actual wastewater. This work proposes a promising confinement strategy for catalyst design and selectivity regulation of complex reactions.
Axially Chiral Multiple Resonance Thermally Activated Delayed Fluorescence Enantiomers for Efficient Circularly Polarized Electroluminescence
Authors: Xing Shuai , Zhong Xiao‐Sheng , Liao Xiang‐Ji , Wang Yu , Yuan Li , Ni Hua‐Xiu , Zheng You‐Xuan 
Published: June 2024

AbstractThe chiral materials and circularly polarized organic light‐emitting diodes (CP‐OLEDs) have potential applications in 3D display due to the generation of circularly polarized luminescence (CPL). However, achieving a combination of chirality, high efficiency, and narrowband emission for thermally activated delayed fluorescence (TADF) materials has proven to be a challenging endeavor, often involving complicated synthesis and chiral separation processes. In this study, a simple design approach is introduced by direct connection of the multiple resonance (MR) skeleton and chiral (R/S)‐1,1′‐binaphthyl units, obtaining two pairs of chiral MR‐TADF enantiomers (R/S)‐DtCzB‐OBN and (R/S)‐DtCzB‐BN without chiral resolution. These enantiomers exhibit blue‐green emissions with photoluminescence quantum efficiencies of up to 98% in doped films and full‐width at half‐maximum of 22 nm both in toluene and in the device. Furthermore, (R/S)‐DtCzB‐OBN and (R/S)‐DtCzB‐BN display symmetric CPL spectra with dissymmetry factors (gPL) of + 3.86( ± 0.317) × 10−4/‐3.37( ± 0.317) × 10−4 and + 7.09( ± 0.233) × 10−4/‐7.74(± 0.233) × 10−4, respectively. The CP‐OLEDs based on (R/S)‐DtCzB‐OBN and (R/S)‐DtCzB‐BN exhibit impressive maximum external quantum efficiencies of 30.0% and 33.9%, as well as gEL factors of +3.40( ± 0.362) × 10−4/‐3.11( ± 0.362) × 10−4 and + 7.99( ± 0.391) × 10−4/‐8.19( ± 0.391) × 10−4, respectively. This research proposes a strategy for directly constructing chiral MR‐TADF materials for high‐performance CP‐OLEDs, avoiding complicated chiral separation.
Are agrochemical‐free and biodiversity‐friendly attributes substitutes or complements? Evidence from a coffee choice experiment
Authors: Gatti Nicolas , Gómez Miguel I. , Bennett Ruth E. , Sillett Scott , Bowe Justine , Li Jie 
Published: June 2024

AbstractEco‐labels inform consumers about the sustainable attributes of a product, but consumer face challenges to differentiate and select for specific attributes. Certification programs are similarly challenged to incentivize adoption of sustainable practices in product supply chains when consumer ability to differentiate sustainable attributes is low. This study investigates consumers' Willingness to Pay (WTP) for different environmental attributes of coffee production, and whether attributes that conserve biodiversity and limit agrochemical usage are substitutes or complements. We designed and implemented a hypothetical coffee choice experiment combining coffee farm vegetation management attributes that impact biodiversity (conventional monoculture, shade‐grown, or “Bird Friendly” systems that conserve wildlife habitat) and chemical input (conventional, pesticide‐free, or organic) attributes. We found that consumers think of biodiversity and agrochemical management attributes as sustainability substitutes and have the highest WTP for pesticide‐free and organic attributes. Consumer groups with strong concern about the future of the environment had high WTP for all environmental attributes, but still considered the attributes to be substitutes. Our results suggest that eco‐label programs with biodiversity and agrochemical attributes, such as the Smithsonian Bird Friendly® coffee certification, could increase market participation by simplifying environmental sustainability messaging, simplifying farm‐level certification requirements, and targeting environmentally concerned consumers. [EconLit Citations: D12, Q01, Q13, L66].
A novel missense variant in HIKESHI: Clinical phenotype, in vitro functional testing, and potential for gene therapy
Authors: Mallack Eric J. , Wang Chengbing , Kim Ji‐Sun , Ross M. Elizabeth 
Published: June 2024

AbstractA 7‐month‐old boy presented to our clinic with developmental delay, Magnetic Resonance Imaging (MRI) features of delayed myelination and diffusion restriction, and a homozygous variant of uncertain significance (c.4T>G, p.Phe2Val) in HIKESHI, a gene associated with autosomal‐recessive hypomyelinating leukodystrophy 13. We hypothesized that the variant is disease‐causing and aimed to rescue the cellular phenotype with vector‐mediated gene replacement. HIKESHI mediates heat‐induced nuclear accumulation of heat‐shock proteins, including HSP70, to protect cells from stress. We generated skin fibroblasts from the proband and proband's mother (heterozygous) to compare protein expression and subcellular localization of HSP70 under heat stress conditions, and the effect of vector‐mediated overexpression of HIKESHI in the proband's cells under the same heat stress conditions. Western blot analysis revealed absent HIKESHI protein from proband fibroblasts, contrasted with ample expression in parental cells. Under heat stress conditions, while the mother's cells displayed appropriate nuclear localization of HSP70, the proband's cells displayed impaired nuclear translocalization. When patient fibroblasts were provided exogenous HIKESHI, the transfected proband's cells showed restored heat‐induced nuclear translocalization of HSP70 under conditions of heat stress. These functional data establish that the patient's variant is a pathogenic loss‐of‐function mutation, thus confirming a diagnosis of hypomyelinating leukodystrophy 13 and that vector‐mediated gene replacement may be an effective treatment approach for patients with this disorder.
Controlled Radical Copolymerization toward Tailored F/N Hybrid Polymers by Using Light‐Driven Organocatalysis
Authors: Chen Yufei , Han Shantao , Chen Kaixuan , Guo Xing , Wen Peng , Chen Mao 
Published: June 2024

AbstractControlled radical copolymerizations present attractive avenues to obtain polymers with complicated compositions and sequences. In this work, we report the development of a visible‐light‐driven organocatalyzed controlled copolymerization of fluoroalkenes and acyclic N‐vinylamides for the first time. The approach enables the on‐demand synthesis of a broad scope of amide‐functionalized main‐chain fluoropolymers via novel fluorinated thiocarbamates, facilitating regulations over chemical compositions and alternating fractions by rationally selecting comonomer pairs and ratios. This method allows temporally controlled chain‐growth by external light, and maintains high chain‐end fidelity that promotes facile preparation of block sequences. Notably, the obtained F/N hybrid polymers, upon hydrolysis, afford free amino‐substituted fluoropolymers versatile for post modifications toward various functionalities (e.g., amide, sulfonamide, carbamide, thiocarbamide). We further demonstrate the in situ formation of polymer networks with desirable properties as protective layers on lithium metal anodes, presenting a promising avenue for advancing lithium metal batteries.
Role of ionic crystals as interfacial layers in metal‐semiconductor junction
Authors: Eldeeb Basil , Nasser Hisham , Turan Raşit 
Published: June 2024

AbstractOptoelectronic devices performance is governed by the band alignment nature in heterojunctions. Interfacial Layers (ILs) play an immense role in charge carrier‐selectivity and their transport behavior. Considering the investigations on a wide array of solid‐state surfaces and heterojunctions performed both experimentally and theoretically, we found that the electron localizability, which is quantifiable through the bandgap energy and band width, affects the surface properties of crystals and hence the electronic properties of the interfaces. In combination with other observations, a strategy for contact design is developed for enhancing charge carrier transport across the boundaries and the interfaces, one can optimize stack structures with IL by maximizing their respective transport mechanism, similar to what has been done with silicon solar cells by doping. In this case, charge carrier transport across the interface can be maximized by making the depletion region width smaller without altering the heterojunction barrier's height.
Green method by National Environmental Methods Index and Eco‐Scale Assessment for evaluation of gatifloxacin‐based product by HPLC
Authors: dos Santos Galvão Natália Sabina , de Oliveira Naiara Raica Lopes , de Oliveira Neto Jerônimo Raimundo , Kogawa Ana Carolina 
Published: June 2024

AbstractThe literature reveals gaps in the availability of green analytical methods for assessing products containing gatifloxacin (GFX), a fluoroquinolone. Presently, method development is supported by tools such as the National Environmental Methods Index (NEMI) and Eco‐Scale Assessment (ESA), which offer objective insights into the environmental friendliness of analytical procedures. The objective of this work was to develop and validate a green method by the NEMI and ESA to quantify GFX in eye drops using HPLC. The method utilized a C8 column (4.6 × 150 mm, 5 μm), with a mobile phase of purified water containing 2% acetic acid and ethanol (70:30, v/v). The injection volume was 10 μL and the flow rate was 0.7 mL/min in isocratic mode at 25°C, with detection performed at 292 nm. The method demonstrated linearity in the range of 2–20 μg/mL, and precision at intra‐day (relative standard deviation [RSD] 1.44%), inter‐day (RSD 3.45%), and inter‐analyst (RSD 2.04%) levels. It was selective regarding the adjuvants of the final product (eye drops) and under forced degradation conditions. The method was accurate (recovery 101.07%) and robust. The retention time for GFX was approximately 3.5 min. The greenness of the method, as evaluated by the NEMI, showed four green quadrants, and by ESA, it achieved a score of 88.
Modeling of cell cultivation for monoclonal antibody production processes considering lactate metabolic shifts
Authors: Okamura Kozue , Badr Sara , Ichida Yusuke , Yamada Akira , Sugiyama Hirokazu 
Published: June 2024

AbstractDemand for monoclonal antibodies (mAbs) is rapidly increasing. To achieve higher productivity, there have been improvements to cell lines, operating modes, media, and cultivation conditions. Representative mathematical models are needed to narrow down the growing number of process alternatives. Previous studies have proposed mechanistic models to depict cell metabolic shifts (e.g., lactate production to consumption). However, the impacts of variations of some operating conditions have not yet been fully incorporated in such models. This paper offers a new mechanistic model considering variations in dissolved oxygen and glutamine depletion on cell metabolism applied to a novel Chinese hamster ovary (CHO) cell line. Expressions for the specific rates of lactate production, glutamine consumption, and mAb production were formulated for stirred and shaken‐tank reactors. A deeper understanding of lactate metabolic shifts was obtained under different combinations of experimental conditions. Lactate consumption was more pronounced in conditions with higher DO and low glutamine concentrations. The model offers mechanistic insights that are useful for designing advanced operation strategies. It can be used in design space generation and process optimization for better productivity and product quality.
“Find Me” and “Eat Me” signals: tools to drive phagocytic processes for modulating antitumor immunity
Authors: Xiao Lingjun , Zhang Louqian , Guo Ciliang , Xin Qilei , Gu Xiaosong , Jiang Chunping , Wu Junhua 
Published: June 2024

AbstractPhagocytosis, a vital defense mechanism, involves the recognition and elimination of foreign substances by cells. Phagocytes, such as neutrophils and macrophages, rapidly respond to invaders; macrophages are especially important in later stages of the immune response. They detect “find me” signals to locate apoptotic cells and migrate toward them. Apoptotic cells then send “eat me” signals that are recognized by phagocytes via specific receptors. “Find me” and “eat me” signals can be strategically harnessed to modulate antitumor immunity in support of cancer therapy. These signals, such as calreticulin and phosphatidylserine, mediate potent pro‐phagocytic effects, thereby promoting the engulfment of dying cells or their remnants by macrophages, neutrophils, and dendritic cells and inducing tumor cell death. This review summarizes the phagocytic “find me” and “eat me” signals, including their concepts, signaling mechanisms, involved ligands, and functions. Furthermore, we delineate the relationships between “find me” and “eat me” signaling molecules and tumors, especially the roles of these molecules in tumor initiation, progression, diagnosis, and patient prognosis. The interplay of these signals with tumor biology is elucidated, and specific approaches to modulate “find me” and “eat me” signals and enhance antitumor immunity are explored. Additionally, novel therapeutic strategies that combine “find me” and “eat me” signals to better bridge innate and adaptive immunity in the treatment of cancer patients are discussed.
Ferroptosis defense mechanisms: The future and hope for treating osteosarcoma
Authors: Ma Yulong , Cong Liming , Shen Wenxiang , Yang Chunwang , Ye Kaishan 
Published: June 2024

AbstractCurrently, challenges such as chemotherapy resistance, resulting from preoperative and postoperative chemotherapy, postoperative recurrence, and poor bone regeneration quality, are becoming increasingly prominent in osteosarcoma (OS) treatment. There is an urgent need to find more effective ways to address these issues. Ferroptosis is a novel form of iron‐dependent programmed cell death, distinct from other forms of cell death. In this paper, we summarize how, through the three major defense systems of ferroptosis, not only can substances from traditional Chinese medicine, antitumor drugs, and nano‐drug carriers induce ferroptosis in OS cells, but they can also be combined with immunotherapy, differentiation therapy, and other treatment modalities to significantly enhance chemotherapy sensitivity and inhibit tumor growth. Thus, ferroptosis holds great potential in treating OS, offering more choices and possibilities for future clinical interventions.
Chronocoulometric Quantum Dot Aptasensor for SARS‐CoV‐2 Nucleocapsid Protein Biomarker
Authors: Sanga Nelia A. , Oranzie Marlon , Leve Zandile , Januarie Kaylin C. , Mokwebo Kefilwe V. , Uhuo Onyinyechi V. , Ross Natasha , Douman Samantha F. , Pokpas Keagan , Iwuoha Emmanuel I. 
Published: June 2024

AbstractFor the first time, a novel mercaptosuccinic acid‐capped tungsten telluride quantum dot (MSA‐WTe3‐QD)‐based electrochemical aptasensor was designed for the determination of SARS‐CoV‐2 N‐protein in synthetic human serum, plasma and urine. The MSA‐WTe3‐QD which exhibited spherical morphology and an average diameter of 3.56 nm were synthesized through a bottom‐up approach. The aptasensor was prepared by firstly immobilizing MSA‐WTe3‐QD on a screen‐printed carbon electrode (SPCE) by using the 1‐ethyl‐3‐(3‐dimethylaminopropyl)carbodiimide/N‐hydroxysuccinimide (EDC/NHS) coupling chemistry. Thereafter, amine‐terminated 90‐mer ssDNA aptamer was deposited on the modified SPCE and left to cure to form the aptasensor. Using the chronocoulometry signal transduction technique, the aptasensor's calibration with N‐protein gave a linear range value of 1–9 pg.mL−1 and a limit of detection (LOD) value of 0.08 pg.mL−1. The LOD value of the aptasensor was 8 times lower than the LOD value of 0.71 pg.mL−1 obtained with a commercial N‐protein ELISA kit. When tested in simulated real samples the aptasensor recovery rates of 95–103.33 % were obtained. In the presence of various interferents, the aptasensor displayed good selectivity to N‐protein.
Multicomponent organic blend systems: A review of quaternary organic photovoltaics
Authors: N'Konou Kekeli , Kim Souk Y. , Doumon Nutifafa Y. 
Published: June 2024

AbstractEmbedding a third and/or fourth component into a binary blend active layer of organic photovoltaics (OPVs) is a promising approach to achieve high‐performance photovoltaic cells and modules. This multicomponent strategy favors absorption broadening via additional components. Quaternary OPV (QOPV) blends have four components in three possible configurations: (i) a donor and three acceptors, (ii) two donors and two acceptors, or (iii) three donors and an acceptor. Although quaternary systems have only been relatively recently studied compared to other systems in OPVs, leveraging the synergistic effects of the four components leads to record power conversion efficiencies, currently approaching 20%. QOPVs provide ample material choices for compatibility and channels for charge transfer mechanisms, possibly leading to optimized morphology and orientation. Reviewing recent progress in advancing QOPVs is essential for understanding their contribution to the OPV field. The review mainly discusses research progress in QOPVs with a keen interest in their various configurations, semitransparency, and outdoor and indoor applications. It describes the not‐well‐understood QOPV's general working mechanism. This review explores high‐performance QOPVs based on the fourth component's contribution as a donor, acceptor, or dye molecule and beyond in photovoltaic applications. Finally, there is a discussion around QOPV's outlook and projected future research directions in this field. This review intends to provide an overview of the quaternary systems approach to OPVs and inform current and future researchers on investigating the full spectrum of OPVs.
High Sensitivity Stimulated Raman Scattering Microscopy with Electronic Resonance Enhancement
Authors: Pruccoli Andrea , Zumbusch Andreas 
Published: June 2024

AbstractRaman microscopy is an important tool for labelfree microscopy. However, spontaneous Raman microscopy suffers from slow image acquisition rates and susceptibility to fluorescence background. Coherent Raman microsocopy techniques such as coherent anti‐Stokes Raman scattering (CARS) and stimulated Raman scattering (SRS) microscopy, by contrast, offer fast imaging capability and robustness against sample fluorescence. Yet, their rather low sensitivity impedes their broader application. This review discusses sensitivity enhancement of SRS microscopy to
M detection levels by using electronically pre‐resonant excitation. We present the foundations of this approach, discuss its technological implementation, and show first successful applications. A special emphasis is given to outlining new experimental developments allowing novel types of investigations.
Deciphering Stereoselectivity in Hurd‐Claisen Rearrangements: A Comprehensive Study of Electrostatic Interactions from Shubin's Energy Decomposition Analysis
Authors: Oliveira Ana Gabriela Coelho , Barbosa Mateus Rodrigues , Matias Pedro Henrique Ferreira , Silva Charlley Anchieta Lourenço , Machado Daniel Francisco Scalabrini , de Lira Machado Ângelo Henrique , Benedito de Oliveira Heibbe Cristhian 
Published: June 2024

AbstractIn this study, we explore the stereoselectivity of Hurd‐Claisen Rearrangements, focusing on the influence of two electron‐withdrawing groups and eight diverse substituents. Utilizing the Curtin‐Hammett principle, we performed energy calculations for reactions, products, and transition states using the M062X/def2TZVPP compound model. Our analysis reveals that kinetic factors predominantly dictate the reaction equilibrium. A key aspect of our research is the application of Shubin's energy decomposition analysis to optimized transition states, highlighting the significant role of electrostatic interactions in determining stereoselectivity. We further dissected each transition state into four fragments: the electron‐withdrawing groups (
,
), the Hurd group (
), various substituents (
,
,
,
,
,
,
,
), and the central fragment. This fragmentation approach enabled an in‐depth analysis of group dipole moments, providing insights into the electrostatic forces at play. Our findings shed light on the intricate mechanisms driving stereoselectivity in Hurd‐Claisen Rearrangements and enhance the understanding of molecular interactions, offering valuable implications for organic synthesis.
Selective Hydrodeoxygenation of Lignin‐Derived Phenolic Monomers to Cyclohexanol over Tungstated Zirconia Supported Ruthenium Catalysts
Authors: Gan Quan , Zhou Weihao , Zhang Xueping , Lin Yamei , Huang Shenlin , Lu Guo‐Ping 
Published: June 2024

AbstractThe selective hydrodeoxygenation (HDO) of lignin‐derived methoxyphenols to cyclohexanol is one of the most significant transformation in biomass conversion since cyclohexanol is an important industrial raw material. This study has disclosed a series of tungstated zirconia with different Zr/W ratio supported Ru catalysts (Ru/xZrW, x means the molar ration of Zr/W) for the hydrodeoxygenation (HDO) of guaiacol to cyclohexanol. Among these catalysts, Ru/16ZrW has the best catalytic activity, which can achieve 92 % yield of cyclohexanol under the conditions of 180 °C and 1 MPa H2 pressure for 2 h (TOF 231 h−1). Compared with Ru/ZrO2, Ru/16ZrW has smaller particles, more dispersed and electron‐rich Ru species, significant hydrogen spillover and more acid sites, which are the main reason for its excellent performance on this reaction. Apart from guaiacol, other methoxy substitution phenols and organosolv lignin can also be converted into cyclohexanol via hydrodeoxygenation reactions over this catalyst.