bluuebunny/crossref_metadata_2025_split huggingface dataset:
Equilibrium or Non‐Equilibrium – Implications for the Performance of Organic Solar Cells
Authors: Scheunemann Dorothea , Göhler Clemens , Tormann Constantin , Vandewal Koen , Kemerink Martijn 
Published: August 2023

AbstractWith power conversion efficiencies approaching 20%, organic solar cells can no longer be considered the ugly duckling of photovoltaics. Successes notwithstanding, there is still a need for further improvement of organic solar cells, both regarding energy and current management in these devices. At present, there are different and mutually exclusive interpretation schemes for the associated losses of energy and charge, hampering the rational design of next generations of organic solar cells. One critical factor that affects voltage, current, and fill factor losses is whether or not photogenerated charges are effectively near or far away from thermodynamic equilibrium. While it is commonly agreed that both the vibronic and (disordered) energetic structure of organic semiconductors affect the solar cell characteristics, the degree to which deviations from near‐equilibrium population of the associated energy level distributions matter for the photovoltaic performance is unclear: near‐equilibrium as well as kinetic descriptions have provided seemingly convincing descriptions of a wide range of experiments. Here, the most important concepts in relation to experimental results are reviewed, open questions are addressed and implications for device performance and improvement are highlighted.
Polyhedral Coordination Determined Co‐O Activity for Electrochemical Oxidation of Biomass Alcohols
Authors: Xi Ning , Zang Yanmei , Sun Xiaowen , Yu Jiayuan , Johnsson Mats , Dai Ying , Sang Yuanhua , Liu Hong , Yu Xiaowen 
Published: August 2023

AbstractEarth‐abundant transition metal oxides are promising electrocatalysts for oxidation of biomass alcohols. Here, CoO and Co3O4 are selected as representative cobalt oxide catalysts and grown on carbon fiber paper (CFP) electrodes to reveal the interplay between electronic structure and catalytic activity of catalysts for oxidation of glycerol, diols, and monohydric alcohols. In situ electrochemical tests elucidate that the CoO/CFP electrode has lower interfacial impedance, higher charge transfer, faster oxidation rate, and thereby the higher catalytic activity for alcohol oxidation than the Co3O4/CFP electrode. Especially for glycerol oxidation, the CoO/CFP electrode only requires 1.32 V to reach 10 mA cm−2, the potential is 120 mV lower than that for the Co3O4/CFP electrode. The CoO/CFP electrode can also produce value‐added products such as formate, acetate, and glycolate with high selectivity and efficiency at low energy consumptions from oxidation of biomass alcohols. Theoretical calculations further confirm the dominant role of octahedrally coordinated Co‐O sites in adsorption, activation, and oxidation of C3‐C1 alcohols. This work sheds light on the design of highly efficient transition metal oxide catalysts for oxidation of alcohols by populating octahedral sites in the crystal structure.
Synergistic Co─Ir/Ru Composite Electrocatalysts Impart Efficient and Durable Oxygen Evolution Catalysis in Acid
Authors: Chong Lina , Wen Jianguo , Song Erhong , Yang Zhenzhen , Bloom Ira D. , Ding Wenjiang 
Published: August 2023

AbstractExploring highly active and robust catalysts, which have low precious metal content, to boost the kinetically sluggish oxygen evolution reaction (OER) is a key concern for hydrogen production via proton exchange membrane water electrolysis (PEMWE). Here, rational engineering of the morphology and the local geometric ligand environment of Ir and Ru catalysts are presented by using defect‐rich, lanthanum‐ and lithium‐doped Co3O4 nanofiber (LLCF) as substrate that promotes the electrocatalytic OER. Two catalysts, IrCoOx@LLCF and RuCoOx@LLCF, achieve mass activities of 1013.5 A gIr−1 and 1911.4 A gRu−1 in 0.1 m HClO4 at 300 mV overpotential, respectively, which are 26 and 50 times higher than that of commercial IrO2 and RuO2. Operando X‐ray absorption spectroscopy unveils the reversible structure of IrCoOx during the OER and the suppression of over‐oxidation of Co and Ir, giving rise to high stability. Density functional theory calculations reveal that the local geometric ligand engineering optimizes the binding of oxygenated species to the active sites, resulting in strongly enhanced catalytic activity.
Cowpea residue management effect on productivity of subsequent millet in a legume‐cereal crop rotation
Authors: Tine Sidy , Faye Aliou , Obour Augustine K. , Diouf Doudou , Ndiaye Junior Bruno Mbar , Lo Mouhamadan , Akplo Tobi Moriaque , Ndiaye Saliou , Assefa Yared 
Published: August 2023

AbstractGrowing cowpea (Vigna unguiculate (L) Walp) in rotation with millet (Pennisetum glaucum (L.) R. Br.) can increase millet productivity through biological nitrogen fixation. However, in Senegal, legume crop residues are generally removed for livestock feed, and little information exists on how burying the residue instead of removal affects the subsequent crop yield. This study assessed the productivity of cowpea varieties and evaluated prior cowpea residue management effect on grain and biomass yield of millet (Pennisetum glaucum (L.) R. Br) in rotation. Experiments were conducted in the National Center for Agronomic Research (CNRA) of Bambey in Senegal from 2020 to 2022. Treatments include 20 cowpea varieties, two fertilizer rates, and cowpea residue management practices (residue removal vs. burying) in a split‐split plot arrangement. Results showed that fertilizer and variety had significant effect on grain and fodder yields of cowpea. Cowpea fodder nutrient concentrations differed by variety, and the superior cowpea variety, 66‐35F, in nutrient concentration in this study had a 2.8‐0.45‐0.82% N‐P‐K. Applying fertilizer to previous cowpea crop increased millet grain yield by 63% compared to millet yield following previous non‐fertilized cowpea plots. Furthermore, incorporation of cowpea residue prior to millet planting increased millet yield by 40% compared with the removal of cowpea biomass in 2020 but had no significant effect in 2021. In general, the amount of cowpea biomass buried had significant positive relationship with millet grain yield. Across years, millet grain yield increased by 0.16 kg ha−1 for each kilogram per hectare increase in cowpea biomass buried prior to millet planting. Results showed that a minimum of 1500 kg ha−1 cowpea buried biomass was required to increase the probability of millet grain yield above 1000 kg ha−1. We concluded that the previous year's cowpea residue burial and fertilizer management improved productivity of the rotational millet crop.
Total neoadjuvant therapy improves survival of patients with borderline resectable pancreatic cancer with arterial involvement
Authors: Akahori Takahiro , Terai Taichi , Nagai Minako , Nakamura Kota , Kohara Yuichiro , Yasuda Satoshi , Matsuo Yasuko , Doi Shunsuke , Sakata Takeshi , Sho Masayuki 
Published: August 2023

AbstractAimThis study aimed to evaluate the prognostic impact of total neoadjuvant therapy (TNT) for borderline resectable pancreatic cancer with arterial involvement (BR‐A) pancreatic cancer.MethodsWe analyzed 81 patients initially diagnosed as BR‐A who received initial treatments between 2007 and 2021. Among them, 18 patients who received upfront surgery were classified as the UFS group, while 30 patients who were treated with neoadjuvant chemoradiotherapy were classified as the NACRT group. Furthermore, 33 patients who planned to receive a combination treatment of over 6 months of systemic chemotherapies followed by chemoradiotherapy before surgery were classified as the TNT group.ResultsThere were no significant differences in the patients’ backgrounds between the three groups at the time of initial treatment. The resection rates of the UFS, NACRT, and TNT groups were 89%, 77%, and 67%, respectively. NACRT had no impact on the prognosis compared to upfront surgery. In sharp contrast, the TNT group had a significantly better prognosis compared to the other groups, especially after pancreatic resection. Multivariate analysis demonstrated that TNT and resection were independent prognostic factors for the patients of BR‐A.ConclusionTNT can be a promising therapeutic strategy for patients with BR‐A.
Toward understanding the cross‐linking from molecular chains to aggregates by engineering terminals of supramolecular hyperbranched polysiloxane
Authors: Zhang Yuanbo , Yuan Junshan , Hu Jingzhi , Tian Zhixuan , Feng Weixu , Yan Hongxia 
Published: August 2023

AbstractCrosslinking thermosets with hyperbranched polymers confers them superior comprehensive performance. However, it still remains a further understanding of polymer crosslinking from the molecular chains to the role of aggregates. In this study, three hyperbranched polysiloxane structures (HBPSi‐R) are synthesized as model macromolecules, each featuring distinct terminal groups (R denotes amino, epoxy, and vinyl groups) while similar molecular backbone (Si‐O‐C). These structures were subsequently copolymerized with epoxy monomers to construct interpenetrating HBPSi‐R/epoxy/anhydride co‐polymer systems. The spatial molecular configuration and flexible Si‐O‐C branches of HBPSi‐R endow them with remarkable reinforcement and toughening effects. Notably, an optimum impact strength of 28.9 kJ mol−1 is achieved with a mere 3% loading of HBPSi‐V, nearly three times that of the native epoxy (12.9 kJ mol−1). By contrasting the terminal effects, the aggregation states and crosslinking modes were proposed, thus clarifying the supramolecular‐dominant aggregation mechanism and covalent‐dominant dispersion mechanism, which influences the resulting material properties. This work underscores the significance of aggregate science in comprehending polymer crosslinking and provides theoretical insights for tailoring material properties at a refined molecular level in the field of polymer science.
Robust generation of monodisperse droplets using a microfluidic step emulsification device with triangular nozzle
Authors: Lu Yue , Liu Xuyun , Liu Xiangdong , Chen Yongping 
Published: August 2023

AbstractIn this work, the droplet generation process in the microfluidic step emulsification chip with a triangular nozzle (SE‐T) was investigated in the combination of visualization experiment and numerical simulation, through a comparison with a rectangular nozzle (SE‐R). The flow regimes, including dripping, dripping‐jetting transition, and jetting, were observed in the SE‐T, among which the dripping is the preferred flow regime to generate monodispersed droplet with corresponding C.V. (coefficient of variation) of the droplet size smaller than 1.9%. Compared with the SE‐R, the larger space and expanding structure of the triangular nozzle in the SE‐T enhance the wall wetting effects, which induces earlier appearance and accelerates shrinking of the neck. As a result, the SE‐T exhibits more robust droplet performance under the dripping regime, which produces the droplets with nearly unchanged size and higher monodispersity, especially little related to the variations of surfactant concentrations and dispersed phase flow rates.
Optimization of diagnostic and procedural codes to identify patients with acute invasive fungal sinusitis
Authors: Munyemana Marie‐Ange , Ahmed Omar G. , Takashima Mas , Dhanda Aatin K. , Tang Dennis , Wu Arthur , Wu Matthew J. , Kallogjeri Dorina , Piccirillo Jay F. , Roland Lauren T. 
Published: August 2023

Key Points
Acute invasive fungal sinusitis (IFS) is a rare disease with high mortality
There is no designated International Classification of Diseases code for IFS
We propose a novel method to identify IFS using optimized codes complemented by medications
Primary ciliary dyskinesia: An update on contemporary diagnosis
Authors: Chaskes Mark B. , Lopez Erin Mamuyac , Kong K. Albert , Ebert Charles S. , Senior Brent A. , Thorp Brian D. , Kimple Adam J. 
Published: August 2023

Key Points
Primary ciliary dyskinesia (PCD) is a complex diagnosis without a universal diagnostic test
Clinicians must have some skepticism of historic diagnoses of PCD
Clinicians should consider a diagnosis of PCD in patients with recalcitrant disease
Transcriptional risk scores in Alzheimer's disease: From pathology to cognition
Authors: Pyun Jung‐Min , Park Young Ho , Wang Jiebiao , Bennett David A. , Bice Paula J. , Kim Jun Pyo , Kim SangYun , Saykin Andrew J. , Nho Kwangsik 
Published: August 2023

AbstractINTRODUCTIONOur previously developed blood‐based transcriptional risk scores (TRS) showed associations with diagnosis and neuroimaging biomarkers for Alzheimer's disease (AD). Here, we developed brain‐based TRS.METHODSWe integrated AD genome‐wide association study summary and expression quantitative trait locus data to prioritize target genes using Mendelian randomization. We calculated TRS using brain transcriptome data of two independent cohorts (N = 878) and performed association analysis of TRS with diagnosis, amyloidopathy, tauopathy, and cognition. We compared AD classification performance of TRS with polygenic risk scores (PRS).RESULTSHigher TRS values were significantly associated with AD, amyloidopathy, tauopathy, worse cognition, and faster cognitive decline, which were replicated in an independent cohort. The AD classification performance of PRS was increased with the inclusion of TRS up to 16% with the area under the curve value of 0.850.DISCUSSIONOur results suggest brain‐based TRS improves the AD classification of PRS and may be a potential AD biomarker.Highlights
Transcriptional risk score (TRS) is developed using brain RNA‐Seq data.
Higher TRS values are shown in Alzheimer's disease (AD).
TRS improves the AD classification power of PRS up to 16%.
TRS is associated with AD pathology presence.
TRS is associated with worse cognitive performance and faster cognitive decline.
Platelet factor 4 induces bone loss by inhibiting the integrin α5‐FAK‐ERK pathway
Authors: Li Wei , Zhang Qiwei , Gu Ranli , Zeng Lijun , Liu Hao 
Published: August 2023

AbstractBackgroundThe effect of platelet factor 4 (PF4) on bone marrow mesenchymal stem cells (BMMSCs) and osteoporosis is poorly understood. Therefore, this study aimed to evaluate the effects of PF4‐triggered bone destruction in mice and determine the underlying mechanism.MethodsFirst, in vitro cell proliferation and cell cycle of BMMSCs were assessed using a CCK8 assay and flow cytometry, respectively. Osteogenic differentiation was confirmed using staining and quantification of alkaline phosphatase and Alizarin Red S. Next, an osteoporotic mouse model was established by performing bilateral ovariectomy (OVX). Furthermore, the PF4 concentrations were obtained using enzyme‐linked immunosorbent assay. The bone microarchitecture of the femur was evaluated using microCT and histological analyses. Finally, the key regulators of osteogenesis and pathways were investigated using quantitative real‐time polymerase chain reaction and Western blotting.ResultsHuman PF4 widely and moderately decreased the cell proliferation and osteogenic differentiation ability of BMMSCs. Furthermore, the levels of PF4 in the serum and bone marrow were generally increased, whereas bone microarchitecture deteriorated due to OVX. Moreover, in vivo mouse PF4 supplementation triggered bone deterioration of the femur. In addition, several key regulators of osteogenesis were downregulated, and the integrin α5‐focal adhesion kinase‐extracellular signal‐regulated kinase (ITGA5‐FAK‐ERK) pathway was inhibited due to PF4 supplementation.ConclusionsPF4 may be attributed to OVX‐induced bone loss triggered by the suppression of bone formation in vivo and alleviate BMMSC osteogenic differentiation by inhibiting the ITGA5‐FAK‐ERK pathway.
A Microporous Hydrogen Bonded Organic Framework for Highly Selective Separation of Carbon Dioxide over Acetylene
Authors: Li Yunbin , Wang Xue , Zhang Hao , He Lei , Huang Jiali , Wei Wuji , Yuan Zhen , Xiong Zhile , Chen Huadan , Xiang Shengchang , Chen Banglin , Zhang Zhangjing 
Published: August 2023

AbstractThe separation of acetylene (C2H2) from carbon dioxide (CO2) is a very important but challenging task due to their similar molecular dimensions and physical properties. In terms of porous adsorbents for this separation, the CO2‐selective porous materials are superior to the C2H2‐selective ones because of the cost‐ and energy‐efficiency but have been rarely achieved. Herein we report our unexpected discovery of the first hydrogen bonded organic framework (HOF) constructed from a simple organic linker 2,4,6‐tri(1H‐pyrazol‐4‐yl)pyridine (PYTPZ) (termed as HOF‐FJU‐88) as the highly CO2‐selective porous material. HOF‐FJU‐88 is a two‐dimensional HOFs with a pore pocket of about 7.6 Å. The activated HOF‐FJU‐88 takes up a high amount of CO2 (59.6 cm3 g−1) at ambient conditions with the record IAST selectivity of 1894. Its high performance for the CO2/C2H2 separation has been further confirmed through breakthrough experiments, in situ diffuse reflectance infrared spectroscopy and molecular simulations.
Separating Xylene Isomers with a Calcium Metal‐Organic Framework
Authors: Yu Liang , Zhang Jian , Ullah Saif , Yao Jinze , Luo Haoyuan , Huang Jiajin , Xia Qibin , Thonhauser Timo , Li Jing , Wang Hao 
Published: August 2023

AbstractThe purification of p‐xylene (pX) from its xylene isomers represents a challenging but important industrial process. Herein, we report the efficient separation of pX from its ortho‐ and meta‐ isomers by a microporous calcium‐based metal–organic framework material (HIAM‐203) with a flexible skeleton. At 30 °C, all three isomers are accommodated but the adsorption kinetics of o‐xylene (oX) and m‐xylene (mX) are substantially slower than that of pX, and at an elevated temperature of 120 °C, oX and mX are fully excluded while pX can be adsorbed. Multicomponent column breakthrough measurements and vapor‐phase/liquid‐phase adsorption experiments have demonstrated the capability of HIAM‐203 for efficient separation of xylene isomers. Ab initio calculations have provided useful information for understanding the adsorption mechanism.
Synthesis and characterization of polymeric composites with Cascabela thevetia incorporated zinc nanoparticles: Food packaging applications
Authors: Rajamani Shwetarani , Gani Ramesh , Raghu Shamprasad Varija , Kudva Avinash , Hiremath Murigendra , Kavital Apsara , Ramanath Nityasree , Nasalapure Anand 
Published: August 2023

AbstractBackgroundMost food packaging materials are non‐biodegradable and do not protect against microbial growth. In the present study, we have synthesized and characterized environmentally friendly packaging material using nanotechnology.ObjectiveCascabela thevetia incorporated zinc nanoparticles and PVP/KC blended films of various ratios were synthesized using the solvent casting method. The nanoparticles were tested for their physical and chemical properties. The antimicrobial activity of films and an in vivo toxicity studies were performed using Drosophila as a model system.ResultsThe thickness of blend films increases as the concentration of nanoparticles is enhanced. The UV–visible spectra of prepared ZnO nanoparticles exhibited maximum absorbance wavelength (λmax) at 360–380 nm. The nanocomposite films' TS and EB and Y were also increased. Scanning electron microscopy (SEM) analysis suggested that all the films were homogenous, crack‐free, and possessed continuous bubble‐free surfaces. FT‐IR results showed chemical interaction between PVP/KC and Zinc oxide nanoparticles. Fifth sample showed greater antibacterial activity. A toxicity study showed that the flies survived >92% in all the samples up to 10 days of continuous feeding, which signifies that the material has low toxicity.ConclusionNanocomposite films can be used as antimicrobial food packaging material to enhance the shelf‐life of food.
Design and multilevel structuring of shape memory polymers for pleochroism control
Authors: Kondratov Alexander P. , Nikolaev Alexander A. , Nazarov Victor G. , Vereshchagin Vladislav Y. , Volinsky Alex A. 
Published: August 2023

AbstractBrands and products counterfeiting, and falsification are global problems for the development and distribution of high‐tech industrial and food products, which affect world economies. One way to solve these problems is to develop original packaging with protection elements and labeling against counterfeiting, which excludes the possibility of replication and forgery by printing or other methods. The most reliable way to protect packaging from counterfeiting is the use of new materials with unique optical properties and constantly updated technologies for packaging manufacturing and labeling. This paper proposes a new multi‐level technology for the design, manufacture and hidden labeling of polymer packaging made from several layers of transparent polymer films. The design and marking of the multilayer films are combined with perforation, thermal treatment and heat sealing of the package. The reliability of the proposed markings is based on the characterization of optical pleochroism effects in transparent multilayer polymer materials with shape memory. The thermomechanical and optical properties of films made of bulk thermoplastics (polypropylene, polystyrene, polyvinyl chloride and polyethylene) were characterized in polarized light. The modification and combination of these films provide a high color difference and sufficient contrast of hidden markings, allowing to identify genuine products by bar codes formed from shape memory films in sealing seams of flexible polymer packaging.
Safety and quality evaluations of liquid milk and infant formula products in China in 2022
Authors: Meng Lu , Zheng Nan , Gao Yanan , Liu Huimin , Wang Jiaqi 
Published: August 2023

AbstractMilk serves two nutritional functions: it provides nutrition while also maintaining a healthy intestinal microenvironment. Thus, the safety and quality of milk products are critical for consumers' health. To evaluate liquid milk and infant formula products in China, we analyzed nine indices of 294 batches of pasteurized milk (PM), 92 batches of ultra‐high temperature milk (UHT), and 20 batches of infant formula milk powder (IF) collected from 21 provinces in 2022. All PM, UHT, and IF samples were satisfactory concerning aflatoxin M1 contamination, contamination by heavy metals, and residues of veterinary drugs and pesticides. The contents of lactoferrin, α‐lactalbumin, β‐lactoglobulin, furosine, and lactulose in the majority of samples met the group standards. Moreover, the contents of lactoferrin, α‐lactalbumin, and β‐lactoglobulin were higher in PM than in UHT, while furosine and lactulose contents showed the opposite trend. The findings concerning the safety and quality of milk products in China provide important insights to aid consumer preferences for milk products.
Solid Electrolyte Interphase Architecture for a Stable Li‐electrolyte Interface
Authors: Pan Yue , Zhang Ying 
Published: August 2023

AbstractLi metal anode has attracted extensive attention as the state‐of‐the‐art anode material for rechargeable batteries. It is defined as the ultimate anode material for the high theoretical specific capacity (3860 mAh g−1) and the lowest negative electrochemical potential (−3.04 V vs. Standard Hydrogen Electrode). However, the uncontrolled Li dendrites and the spontaneous side reactions between Li and electrolytes hinder its commercialization. To overcome these obstacles, the optimized solid electrolyte interphase (SEI) with excellent performance was proposed by the artificial method. The improved performance includes high stability, ionic conductivity, compactness, and flexibility. In this review, the strategies for artificial SEI engineering in liquid and solid electrolytes are summarized. To fabricate an ideal artificial SEI, the component, distribution, and structure should be fully and reasonably considered. This review will also provide perspectives for the SEI design and lay a foundation for the future research and development of Li metal batteries.