bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, Stable Radical Anion and Energy Storage Performance of Pentacene Tetraimides
Authors: You Xiaoxiao , Liu Hang , Zhou Hao , Chen Xingyu , Xu Jingwen , Wang Dongxue , Wu Di , Xia Jianlong 
Published: September 2024

AbstractImide functionalization has been widely proved to be an effective approach to enrich optoelectronic properties of polycyclic aromatic hydrocarbons (PAHs). However, appending multiple imide groups onto linear acenes is still a synthetic challenge. Herein, we demonstrate that by taking advantage of a “breaking and mending” strategy, a linear pentacene tetraimides (PeTI) was synthesized through a three‐step sequence started from the naphthalene diimides (NDI). Compared with the parent pentacene, PeTI shows a deeper‐lying lowest unoccupied molecular orbital (LUMO) energy level, narrower band gap and better stability. The redox behavior of PeTI was firstly evaluated by generating a stable radical anion specie with the assistance of cobaltocene (CoCp2), and the structure of the electron transfer (ET) complex was confirmed by the X‐ray crystallography. Moreover, due to the presence of multiple redox‐active sites, we are able to show that the state‐of‐the‐art energy storage performance of the dealkylated PeTI (designated as PeTCTI) in organic potassium ion batteries (OPIBs) as an anode. Our results shed light on the application of multiple imides functionalized linear acenes, and the reported synthetic strategy provides an effective way to get access to longer nanoribbon imides with fascinating electronic properties.
Surface modification of h‐BN and electric field control of its orientation in sulfonated polyetheretherketone
Authors: Yang Jin , Hou Yixuan , Hong Yingzheng , Yao Yingbang 
Published: September 2024

AbstractSince thermally conductive fillers easily aggregate when introduced into polymer matrix, it is essential to apply a modifier to enhance the dispersion of the filler. In current study, the surface of boron nitride (h‐BN) is firstly modified by employing a double modification process and then added into sulfonated polyetheretherketone (SPEEK) to form the composite materials. Four different kinds of samples of double‐modified h‐BN were obtained. Ultimately, the XXX@h‐BN/SPEEK (XXX denoted as modifier, i.e. PDA, VTMS, TEOS, and APS) flexible film with the horizontally oriented XXX@h‐BN was produced by heating the mixture under an external electric field. The test results indicate that the thermally conductive filler PDA@h‐BN (PDA: polydopamine), which was prepared by modifying OH@h‐BN with PDA, loaded into SPEEK, and electrically oriented, shows the best overall performances. With a high tensile strength of 43.24 MPa and good flexibility, PDA@h‐BN/SPEEK flexible film exhibits an in‐plane thermal conductivity of 2.3 Wm−1 K−1 at a filling ratio of 10 wt%. The sample may be bent at a steep angle without breaking down and can recover to original shape bearing its high degree of flexibility.
Flame retardant polyvinyl alcohol film with self‐releasing carbon dioxide and ammonia from phytic acid and urea
Authors: Wu Hao , Lai Dengwang , Nan Mengyao , Cao Wuyan , Liu Li , Liu Yuejun , Yang Jun 
Published: September 2024

AbstractThis paper utilizes the reaction of phytic acid (PA) and urea (UM) in polyvinyl alcohol (PVA) solution to synthesize flame retardant gasses (CO2, NH3) for the preparation of PVA composite films containing flame retardant microbubbles. The flame retardancy of PVA composite films was assessed using methods including limiting oxygen index (LOI), vertical burning (UL 94), and cone calorimetry. The results indicated an increase in the LOI of the PVA composite film containing flame retardant microfoam from 20% to 30% compared with the pure PVA film, and that UL 94 reached VTM‐0. Furthermore, its peak exothermic rate and total exothermic amount were reduced by 36.25% and 38.92%, respectively, compared with the pure PVA film. The investigation of the flame‐retardant mechanism employed thermogravimetric‐infrared (TG‐IR), scanning electron microscopy (SEM), Raman spectroscopy, and infrared spectroscopy. The results demonstrate that the CO2 and NH3 flame retardant microbubbles within the composite film render it less ignitable at the initial stage, and that the internal UM of the composite film continues to decompose, releasing CO2 and NH3 upon heating. In addition, the acidic substances decomposed by PA during combustion promote the dehydration, cross‐linking, and cyclization of PVA, generating chemical structures such as POC, POP, and PO4 with enhanced thermal stability. This encourages the formation of a continuous, dense charcoal layer and impedes the transfer of oxygen and heat into the interior.
Preparation and antimicrobial properties of Ag+/carboxymethyl chitosan/silk fibroin composite microspheres
Authors: Yan Xiaofei , Gao Zhaoyang , Shao Yehua , Qi Dongming , Wu Bei , Guo Shirong 
Published: September 2024

AbstractThe frequent occurrence of respiratory infectious diseases has made it difficult for traditional antibacterial materials to meet practical needs in recent years. There was an urgent need to develop new antimicrobial materials with stronger antimicrobial effects and biosafety. In this paper, the carboxymethyl chitosan (CMCTS)/silk fibroin (SF) composite microspheres were synthesized through self‐assembly, and the Ag+/CMCTS/SF composite microspheres were prepared by loading the Ag+ onto their surface. It investigated the effect of CMCTS contents, SF on the size and secondary structure of CMCTS/SF composite microspheres, and the antibacterial activity and mechanism of Ag+/CMCTS/SF composite microspheres. The results showed that the average particle size distribution size of CMCTS/SF composite microspheres was ranged from approximately 593–1115 nm. When CMCTS was added at 50 wt%, the content of β‐sheet structures in silk fibroin microspheres was the largest at 38.6%. And the CMCTS/SF composite microspheres loaded with Ag+ enhanced the bactericidal rate against Escherichia coli and Staphylococcus aureus by 27.51% and 36.39%, respectively. In addition, the Ag+/CMCTS/SF composite microspheres have high biological safety, providing a new method for designing an efficient, green, and safe composite antibacterial agent.
Multispectral investigation of natural resins
Authors: Heidrich Lara , Brand Bastian , Brackmann Stefan , Schäuble Jan , Aly Mohammed Adel , Reher Raphael , Pommerening Tanja , Koch Martin 
Published: September 2024

AbstractResins have been used as remedies since ancient times and various embalming resins have been identified in recent years. In Europe, Mumia vera aegyptiaca, a resinous substance from ancient Egyptian mummies, was even sold in pharmacies as a tonic until the early 20th century. It is difficult to examine the composition of these archeological samples in detail as the well‐established analytical techniques, that is, gas chromatography‐mass spectrometry or liquid chromatography coupled with tandem mass spectrometry, are destructive and therefore do not allow the analysis of valuable archeological samples. Hence, there is an urgent need for alternative, nondestructive methods for the identification of resin residues. This study aims to explore and compare the use of five spectroscopic methods as an alternative to established analytical procedures. For that, 15 resin samples of known origin and three samples from an Egyptian market were studied. While laser induced‐breakdown spectroscopy and terahertz time‐domain spectroscopy provide only limited information for resin classification, nuclear magnetic resonance spectroscopy and Fourier‐transform infrared spectroscopy can be used to classify the resin samples more accurately. Furthermore, photoluminescence/photoluminescence excitation spectroscopy shows a promising potential in combination with its general advantages, such as cost‐efficiency, nondestructive nature, and fast data acquisition.
Isostructural Oxamate Complexes with Visible Luminescence (Eu3+) and Field‐Induced Single‐Molecule Magnet (Nd3+)
Authors: Diogo Emilay B. T. , da Silva Júnior Eufrânio N. , Oliveira Willian X. C. , Stumpf Humberto O. , Fabris Fernando , de Almeida Adriele A. , Knobel Marcelo , Ferreira Fabio F. , Nunes Wallace C. , Pedroso Emerson F. , Julve Miguel , Pereira Cynthia L. M. 
Published: September 2024

AbstractThe search for new metal‐organic compounds as candidates for quantum information processing technologies is in the spotlight. Several metal ions and organic linkers have been used to obtain such compounds. Herein, we describe the synthesis, crystal structures, and cryomagnetic properties of two air‐stable isostructural neodymium(III) and europium(III) one‐dimensional (1D) coordination polymers of formula [Nd(Hmpa)3(DMSO)2]n (1) and [Eu(Hmpa)3(DMSO)2]n (2) [Hmpa=N‐(4‐methylphenyl)oxamate, and DMSO=dimethylsulfoxide]. These complexes were prepared by reacting n‐Bu4N(Hmpa) proligand [n‐Bu4N+=tetra‐n‐butylammonium] and the correspondent LnCl3 ⋅ 6H2O salt (Ln=Nd or Eu) in the open air and mild conditions. The crystal structures of 1 and 2 reveal the Ln3+ ion surrounded by two DMSO molecules and three oxamate ligands, one of them connecting to adjacent mononuclear entities through carboxylate bridges featuring a homometallic chain, while the other two establishing double N−H ⋅ ⋅ ⋅ O hydrogen bonds among adjacent polymers to give a resultant supramolecular 2D network. Cryomagnetic measurements in the static (dc) and dynamic current (ac) regimes reveal that 1 behaves as a field‐induced single‐molecule magnet below 8.8 K. A photoluminescence study shows that Hmpa ligands efficiently sensitize the luminescence of Eu3+ complex in the visible region in the solid state at room temperature.
3‐generation family histories of mental, neurologic, cardiometabolic, birth defect, asthma, allergy, and autoimmune conditions associated with autism: An open‐source catalog of findings
Authors: Schendel Diana , Ejlskov Linda , Overgaard Morten , Jinwala Zeal , Kim Viktor , Parner Erik , Kalkbrenner Amy E. , Ladd Acosta Christine , Fallin M. Danielle , Xie Sherlly , Mortensen Preben Bo , Lee Brian K. 
Published: September 2024

AbstractThe relatively few conditions and family member types (e.g., sibling, parent) considered in investigations of family health history in autism spectrum disorder (ASD, or autism) limits understanding of the role of family history in autism etiology. For more comprehensive understanding and hypothesis‐generation, we produced an open‐source catalog of autism associations with family histories of mental, neurologic, cardiometabolic, birth defect, asthma, allergy, and autoimmune conditions. All live births in Denmark, 1980–2012, of Denmark‐born parents (1,697,231 births), and their 3‐generation family members were followed through April 10, 2017 for each of 90 diagnoses (including autism), emigration or death. Adjusted hazard ratios (aHR) were estimated via Cox regression for each diagnosis‐family member type combination, adjusting for birth year, sex, birth weight, gestational age, parental ages at birth, and number of family member types of index person; aHRs also calculated for sex‐specific co‐occurrence of each disorder. We obtained 6462 individual family history aHRS across autism overall (26,840 autistic persons; 1.6% of births), by sex, and considering intellectual disability (ID); and 350 individual co‐occurrence aHRS. Results are cataloged in interactive heat maps and down‐loadable data files: https://ncrr-au.shinyapps.io/asd-riskatlas/ and interactive graphic summaries: https://public.tableau.com/app/profile/diana.schendel/viz/ASDPlots_16918786403110/e-Figure5.While primarily for reference material or use in other studies (e.g., meta‐analyses), results revealed considerable breadth and variation in magnitude of familial health history associations with autism by type of condition, family member type, sex of the family member, side of the family, sex of the index person, and ID status, indicative of diverse genetic, familial, and nongenetic autism etiologic pathways. Careful attention to sources of autism likelihood in family health history, aided by our open data resource, may accelerate understanding of factors underlying neurodiversity.
Challenges and Approaches to Designing High‐Energy Density Lithium‐Sulfur Pouch Cells
Authors: Badhrinathan Srinidi , Dai Huidong , Pandey Gaind P. 
Published: September 2024

AbstractLithium‐sulfur (Li−S) batteries are of great interest as next‐generation energy storage devices in a wide variety of applications, due to their high specific capacity and the environmental abundance of sulfur. However, liquid electrolyte Li−S technology faces several challenges such as polysulfide shuttling, anode corrosion and sluggish cathode kinetics. Practical deployment of Li−S batteries requires evaluation in large‐format, high energy density pouch cells. Stringent operating conditions such as high sulfur loading and operating current, low electrolyte amount, and limited anode quantity are required for high energy density pouch cells, which further curtails the electrochemical performance and cycle life. This review aims to provide an understanding of the different failure mechanisms of large‐format Li−S pouch cells and formulate key design parameters of Li−S pouch cells that have high capacity, coulombic efficiency and long cycle life. Recent developments in Li−S pouch cells are then discussed, focusing on cathode and electrolyte design for polysulfide immobilization, accelerated sulfur conversion kinetics, and Li anode protection. A review of advanced characterization techniques suitable for Li−S pouch cell studies is also provided. Finally, viewpoints are offered on the remaining challenges and prospects to guide future research in scaling up Li−S technology for real‐world applications.
Comparative analysis of the combustion and emission characteristics of biojet and conventional Jet A‐1 fuel: a review
Authors: Raji Abdulwasiu Muhammed , Manescau Brady , Chetehouna Khaled , Lamoot Ludovic , Ogabi Raphael 
Published: September 2024

AbstractConventional jet fuels derived from fossil sources contribute to greenhouse gas emissions and air pollution, leading to climate change. Recent studies have shown that biobased jet fuels from different feedstocks offer a more sustainable alternative to conventional fuels as they are derived from renewable biomass, reducing greenhouse gas emissions. The major feedstocks reviewed are jatropha curcas, camelina, karanja oil, waste cooking oil, and municipal solid waste. They offer diverse benefits for sustainable aviation fuel development. As a comparative analysis, this review examined jet fuel characteristics based on their physicochemical properties, namely energy content, viscosity, calorific value, cetane number, and freezing and flash points. The objective was to understand the influence of the properties on performance evaluation, environmental impact, and combustion characteristics. The properties of biojet fuels are compared with their fossil counterparts to validate their suitability as renewable alternatives and their benefits in terms of emissions reduction and engine performance. Biojet fuels perform better in terms of lower sulfur content, lower soot content, and a lower freezing point, their aromatic content, and their high cetane number. This study enhances the understanding of biojet fuels and their quality, and supports the development of sustainable fuel options. Overall, adherence to the American Society for Testing and Materials (ASTM) D7566‐18 standard is crucial for the acceptance and integration of biojet fuels into the aviation sector. Future research should explore feedstocks such as wood biomass, wastepaper, and agricultural residues for biojet fuels. It should also investigate the combustion and emission characteristics of biosourced aviation fuel at higher blending ratios (>50% by volume) with fossil Jet A‐1.
The accuracy of ultrasensitive PSA in predicting disease progression after radical prostatectomy
Authors: Seikkula Heikki , Hyysalo Jaakko , Högerman Mikael , Boström Peter J. , Ettala Otto 
Published: September 2024

AbstractObjectivesTo assess the role of ultrasensitive PSA values (usPSA) after radical prostatectomy in predicting the subsequent biochemical recurrence (BCR).Material and methodsThe study included 1836 patients who underwent open or robot‐assisted RP at Turku University Hospital between 2003 and 2018. Exclusion criteria involved patients with adjuvant treatments and those who did not reach a PSA nadir <0.1 ng/ml, resulting in a final cohort of 1313 patients. The prognostic impact of the optimal usPSA nadir cut‐off value 6 months after RP was investigated to predict subsequent BCR for the whole cohort (N = 1313). The optimal usPSA cut‐off value was determined for patients at 3–5 years post‐surgery (N = 806) and beyond 5 years (N = 493) of follow‐up. We used the area under the curve (AUC) calculation and the Kaplan–Meier method.ResultsIn a cohort with a median age of 64, primarily featuring Gleason score 7 prostate cancer. uPSA nadir of 0.01 ng/ml (AUC = 0.80) at the first monitoring post‐surgery emerged as the optimal cut‐off for identifying subjects at low (80%) or high (20%) risk of BCR within the first 3 years. Beyond this period, uPSA values during the first 3 [(AUC = 0.89; 3–5 years post‐surgery) and (AUC = 0.81; beyond 5 years)] and 5 post‐surgery years (AUC = 0.85) outperformed uPSA nadir in predicting subsequent BCR. Notably, EAU‐defined high‐risk patients with low uPSA nadir maintained substantial BCR‐free survival.ConclusionIn conclusion, a low usPSA predicts minimal BCR risk over the next 2–3 years post‐measurement. Patients with low usPSA can benefit from reduced post‐surgery PSA monitoring at 2‐ to 3‐year intervals without compromising outcomes. This strategic approach optimizes resource allocation in busy urological outpatient clinics, especially valuable in publicly reimbursed healthcare systems like Finland.
Electrobiofabrication of antibody sensor interfaces within a 3D printed device yield rapid and robust electrochemical measurements of titer and glycan structure
Authors: Chen Chen‐Yu , Motabar Dana , Zakaria Fauziah Rahma , Kim Eunkyoung , Wu Benjamin , Payne Gregory F. , Bentley William E. 
Published: September 2024

AbstractWe report the integration of 3D printing, electrobiofabrication, and protein engineering to create a device that enables near real‐time analysis of monoclonal antibody (mAb) titer and quality. 3D printing was used to create the macroscale architecture that can control fluidic contact of a sample with multiple electrodes for replicate measurements. An analysis “chip” was configured as a “snap‐in” module for connecting to a 3D printed housing containing fluidic and electronic communication systems. Electrobiofabrication was used to functionalize each electrode by the assembly of a hydrogel interface containing biomolecular recognition and capture proteins. Specifically, an electrochemical thiol oxidation is used to assemble a thiolated polyethylene glycol hydrogel, that in turn is covalently coupled to either a cysteine‐tagged protein G that binds the antibody's Fc region or a lectin that binds the glycans of target mAb analytes. We first show the design, assembly, and testing of the hardware device. Then, we show the transition of a step‐by‐step sensing methodology (e.g., mix, incubate, wash, mix, incubate, wash, measure) into the current method where functionalization, antibody capture, and assessment are performed in situ and in parallel channels. Both titer and glycan analyses were found to be linear with antibody concentration (to 0.2 mg/L). We further found the interfaces could be reused with remarkably similar results. Because the interface assembly and use are simple, rapid, and robust, we suggest this assessment methodology will be widely applicable, including for other biomolecular process development and manufacturing environments.
Photochemical coupling reaction of phenacyl benzoate with acetone to form 1,4‐dicarbonyl compound enabled by charge transfer
Authors: Shin Ho Suk , Park Bong Ser 
Published: September 2024

AbstractPhotolysis of phenacyl benzoates tethered with a phenol or anisole in acetone resulted in the formation of 1,4‐dicarbonyl compounds, coupling products of the phenacyl moiety with acetone. The reaction occurs via electron and/or proton transfer from a triplet exciplex, leading to the formation of a phenacyl radical, which then adds to the enol form of acetone. The reaction also occurs in intermolecular fashion with external electron donors.
Effect of primary tumor volume on survival of concurrent chemoradiotherapy in stage IV non‐small cell lung cancer
Authors: Chen Xiaxia , Zhang Wei , Luo Lan , Fu Shimei , Cao Dongdong , Su Shengfa , Li Qingsong , Yang Wengang , Geng Yichao , Lu Bing , Ouyang Weiwei 
Published: September 2024

AbstractObjectiveTo explore the survival effect of thoracic gross tumor volume (GTV) in three‐dimensional (3D) radiotherapy for stage IV non‐small cell lung cancer (NSCLC).MethodsThe data cases were obtained from a single‐center retrospective analysis. From May. From 2008 to August 2018, 377 treatment criteria were enrolled. GTV was defined as the volume of the primary lesion and the hilus as well as the mediastinal metastatic lymph node. Chemotherapy was a platinum‐based combined regimen of two drugs. The number of median chemotherapy cycles was 4 (2–6), and the cut‐off value of the planning target volume (PTV) dose of the primary tumor was 63 Gy (30–76.5 Gy). The cut‐off value of GTV volume was 150 cm3 (5.83–3535.20 cm3).ResultsThe survival rate of patients with GTV <150 cm3 is better than patients with GTV ≥150 cm3. Multivariate Cox regression analyses suggested that peripheral lung cancer, radiation dose ≥63 Gy, GTV <150 cm3, 4–6 cycles of chemotherapy, and CR + PR are good prognostic factors for patients with stage IV non‐small cell lung cancer. The survival rate of patients with GTV <150 cm3 was longer than patients with ≥150 cm3 when they underwent 2 to 3 cycles of chemotherapy concurrent 3D radiotherapy (p < 0.05). When performing 4 to 6 cycles of chemotherapy concurrent 3D radiotherapy, there was no significant difference between <150 cm3 and ≥150 cm3.ConclusionsThe volume of stage IV NSCLC primary tumor can affect the survival of patients. Appropriate treatment methods can be opted by considering the volume of tumors to extend patients' lifetime to the utmost.