bluuebunny/crossref_metadata_2025_split huggingface dataset:
Performance and mechanism study of IA‐AMPS‐HPA as an oilfield scale inhibitor: Experimental and molecular dynamics simulation
Authors: Wang Shaoyi , Wei Linjie , Li Chunyue , Li Zhonghui , Wang Pengjie , Liu Wanyin , Lin Yuanhua 
Published: August 2023

AbstractIn this article, itaconic acid (IA), 2‐acrylamide‐2‐methylpropanesulfonic acid (AMPS), and hydroxypropyl acrylate (HPA) served as the reaction's monomers, deionized water served as the reaction's solvent, and ammonium persulfate served as the reaction's initiator, with isopropanol serving as the chain transfer agent, a terpolymer scale inhibitor (IA‐AMPS‐HPA) was synthesized and used to prevent the growth of calcium carbonate (CaCO3) scale in an oilfield environment. On the effectiveness of scale inhibition, the influence of temperature, scale inhibitor concentration, pH, calcium ion concentration, and salt levels are examined. The results indicate that the scale inhibition rate progressively drops with growing temperature and gradually increases with rising scale inhibitor concentration. The scale inhibition rate reaches 97.67% when the temperature is 60°C, and the scale inhibitor concentration is 60 mg/L. When the temperature is 80°C and the concentration of scale inhibitor is 40 mg/L, the inhibitor's ability to block CaCO3 increases as the salt content rises. The scale inhibition rate is more than 85% when the pH is less than 9. Besides, the Ca2+ concentration is less than 300 mg/L, and the scale inhibition rate declines as the Ca2+ concentration rises, reaching a maximum value of 91.67% when the salt content is 33 g/L. With a rise in pH, the scale inhibition rate dropped. Employing a scanning electron microscope, the morphology of scale samples was described and analyzed. Molecular dynamics was utilized to simulate the interaction between IA‐AMPS‐HPA and the crystallization surface of CaCO3 at varying temperatures. The results show that the binding energy decreases as the system temperature rises and that the reaction between polymer molecules and CaCO3 crystals in the system can be observed by increasing the time step length and the water molecule concentration. The simulation results are with following the observed phenomena.
Nickel‐catalyzed Nucleophilic C‐Borylation of Imines
Authors: Ishibashi Hisayasu , Nishino Soshi , Shibata Koki , Kamei Toshiyuki 
Published: August 2023

AbstractApplication of bioisostere plays an important role in drug discovery. α‐Aminoboronic acid is the familiar bioisostere of α‐amino acid. Developing reactions for the synthesis of a wide variety of α‐aminoboronic acid is one important task for synthetic chemistry. Herein, we report the development of nucleophilic C‐borylation chemistry for N‐arylimines catalyzed by nickel. The reaction proceeds through the insertion of a borylnickel species into the C=N bond to afford the corresponding α‐aminoboronate, which was isolated as acetamide after trapping with acetic anhydride. N‐Benzyl imine is also tolerated by the developed reaction.
Partially Neutralized Polyacrylic Acid as an Efficient Binder for Aqueous Ceramic‐Coated Separators for Lithium‐Ion Batteries
Authors: Thang Ai Qin , Shen Yuejun , Shi Zugui , Yao Ge , Wong Sun Yew , Liu Zhaolin , Yan Qingyu 
Published: August 2023

AbstractA partially neutralized polyacrylic acid (Pn−PAA) is used for coating sub‐micron‐sized α‐alumina on a conventional microporous polyolefin separator, fabricating a ceramic‐coated separator (CCS). Pn−PAA acts as a dispersant and binder by adsorbing itself on alpha(α)‐alumina surfaces under acidic condition through the columbic interaction, providing a repulsive force to disperse fine alumina in aqueous suspension, and binds alumina strongly on plasma‐treated separator through hydrogen bonding. This CCS shows favorable wettability in carbonate‐based liquid electrolyte and ionic conduction due to the high hydrophilicity of Pn−PAA and alumina. With that, this study found that Pn−PAA‐made‐CCS yields a substantial adhesion strength of ~106 N/m with enhanced cycle stability, a specific capacity of 145.0 mAh/g after 200 cycles at 1 C at room temperature in half cells (LFP/Li metal).
Acid Etching Strategy: Optimizing Bifunctional Activities of Metal/Nitrogen‐doped Carbon Catalysts for Efficient Rechargeable Zn‐Air Batteries
Authors: Li Wangzu , Wu Weixing , Yu Luo , Sun Jiping , Xu Liangpang , Wang Ying , Lu Qian 
Published: August 2023

AbstractTransition metal‐embedded heteroatom carbon composites are regarded as an important branch of bifunctional catalysts for rechargeable Zn‐air batteries. The inevitable transition metal particles on the carbon skeleton may affect the availability of the metal‐heteroatom‐carbon catalytic site. Herein, we propose an acid treatment strategy to remove the bare transition metal particles, thus regulating the electrochemical surface area. The OER activities are highly related to the electrochemical surface area for the catalysts with different acid treatment times. In addition, there exists an optimal acid treatment time to achieve the highest ORR and OER activities with the ΔE value of 0.75 V. Given the superior bifunctional activities after acid treatment, we further assemble the rechargeable Zn‐air batteries with the optimal catalyst, which achieves a peak power density of 364 mW cm−2 and long cycling life of 500 h at 10 mA cm−2. This work affords an efficient strategy to enhance the ORR/OER activities and may guide the design of transition metal/heteroatom carbon composites.
Lithium Nitrate as Salt Additive for Solid Electrolyte Interphase Formation in Dual‐Ion Battery
Authors: Das Sandeep , Pathak Biswarup 
Published: August 2023

AbstractTuning the solid electrolyte interphase (SEI) formation in dual‐ion batteries is important for improving their long‐term stability. In this context, salt additives have gained importance which can sacrificially undergo reduction thereby protecting the working salt. Herein, we have considered dual salt electrolyte models of LiNO3 additive with LiPF6 and LiFSI salt to carry out ab initio molecular dynamics (AIMD) simulations and witness the evolution of SEI layer. Various contact ion pair and solvent separated ion pair models of the dual salt electrolytes have been considered to further understand the role played by solvation shells of the ions. The small size and quicker diffusion of anions through the electrolyte results in its decomposition at the electrode surface irrespective of the anion being in contact ion pair or solvated by solvent molecules. Overall, along with underlining the role of salt additives in SEI formation, this detailed study also provides insights regarding the factors beyond solvation characteristics of salt that determines the SEI growth process.
Enhanced Polysulfides Adsorption and Conversion for High Coulombic Efficiency Sodium‐Ion Batteries
Authors: Bian Yu‐Hua , Gao Xuan‐Wen , Zhao Lu‐Kang , Liu Zhaomeng , Gu Qinfen , Luo Wen‐Bin 
Published: August 2023

AbstractTransition metal sulphides based on conversion reaction mechanism have attracted much attention as anode materials for sodium‐ion batteries owing to their theoretical specific capacity and potential long lifespan. The unsatisfactory Coulombic efficiency, however, inhabits the cycling lifespan due to the intermediate polysulfide formation (Na2Sx; 4≤x≤6) and chain reactions. To enhance the polysulfide polysulfide adsorption capability and capacity, a hybrid with synergistic sodium storage and polysulfide adsorption capability was designed, in which massive CoS2 nanoparticles (CoS2 NP) were utilized as electrons supplier to enhance the adsorption energy of three‐dimensional nitrogen‐doped carbon (3D‐NC) framework towards sodium polysulfide. Combining the experimental and computational results, the encapsulated CoS2 can dramatically optimize the local electronic structure and function as a powerful electron reservoir to increase the effective adsorption to Na2Sx (4≤x≤6). Meanwhile, the electron transferring between CoS2 NP and 3D‐NC can facilitate the conversion of Na2S to Na2Sx. An ultra‐high initial Coulombic efficiency of 98.05 % and 98.38 % can be achieved at current densities of 0.06 A g−1 and 0.4 A g−1, respectively. Beneficial from the high reversible capability, a superior cycling lifespan is obtained up to 800 long cycles at current densities of 0.6 A g−1.
Electrochemically exfoliated graphite as a highly efficient conductive additive for an anode in lithium‐ion batteries
Authors: Kim Dong Seok , Lee Jea Uk , Kim Sung Hyun , Hong Jin‐Yong 
Published: August 2023

AbstractIn this study, the electrochemical characteristics of an anode fabricated using exfoliated graphite (EG), which is mass‐produced using an electrochemical method, are evaluated to verify the potential of EG as a conductive additive. EG exhibits high electrical conductivity because of the sp2 bonding on the two‐dimensional plane; this conductivity provides a stable electrical pathway and promotes electron transfer in the anode. Furthermore, the small number of graphene layers in EG provide excellent mechanical properties (elastic modulus, tensile strength), which suppresses the volume expansion of the anode during lithiation; therefore, EG‐based anode exhibits high capacity retention and charge/discharge cycle stability. The EG with a large specific surface area improves energy density by decreasing the amount of the additive by more than 70% compared to conventional conductive additives and by simultaneously increasing the amount of the active material. The capacity of the electrode with 3.0 wt% EG reaches 376 mAh/g even after 200 cycles at 0.2 C and 99% of its initial reversible capacity. The rate performance of the electrode with 3.0 wt% EG was about 370 mAh/g at 5.0 C. These results confirm that EG can be used as a conductive additive to overcome the limitations of existing commercial conductive agents.
Benefits and harms of breast cancer screening: Cohort study of breast cancer mortality and overdiagnosis
Authors: Wang Sabrina , Sultana Farhana , Kavanagh Anne , Nickson Carolyn , Karahalios Amalia , Gurrin Lyle C. , English Dallas R. 
Published: August 2023

AbstractBackgroundQuantifying the benefits and harms of breast cancer screening accurately is important for planning and evaluating screening programs and for enabling women to make informed decisions about participation. However, few cohort studies have attempted to estimate benefit and harm simultaneously.AimsWe aimed to quantify the impact of mammographic screening on breast cancer mortality and overdiagnosis using a cohort of women invited to attend Australia's national screening program, BreastScreen.MethodsIn a cohort of 41,330 women without prior breast cancer diagnosis, screening, or diagnostic procedures invited to attend BreastScreen Western Australia in 1994‐1995, we estimated the cumulative risk of breast cancer mortality and breast cancer incidence (invasive and ductal carcinoma in situ) from age 50 to 85 years for attenders and non‐attenders. Data were obtained by linking population‐based state and national health registries. Breast cancer mortality risks were estimated from a survival analysis that accounted for competing risk of death from other causes. Breast cancer risk for unscreened women was estimated by survival analysis, while accounting for competing causes of death. For screened women, breast cancer risk was the sum of risk of being diagnosed at first screen, estimated using logistic regression, and risk of diagnosis following a negative first screen estimated from a survival analysis.ResultsFor every 1,000 women 50 years old at first invitation to attend BreastScreen, there were 20 (95% CI 12‐30) fewer breast cancer deaths and 25 (95% CI 15‐35) more breast cancers diagnosed for women who attended than for non‐attendees by age 85. Of the breast cancers diagnosed in screened women, 21% (95% CI 13%‐27%) could be attributed to screening.DiscussionThe estimated ratio of benefit to harm was consistent with, but slightly less favourable to screening than most other estimates from cohort studies.ConclusionWomen who participate in organised screening for breast cancer in Australia have substantially lower breast cancer mortality, while some screen‐detected cancers may be overdiagnosed.
Total Phenols and Flavonoids in Germinated Barley Using Different Solvents
Authors: García‐Castro Abigail , Román‐Gutiérrez Alma Delia , Castañeda‐Ovando Araceli , Guzmán‐Ortiz Fabiola Araceli 
Published: August 2023

AbstractSprouts are a source of secondary metabolites as phenolic compounds. Germination and the use of solvents can affect their content. The aim of this work was to identify the total content of phenols and flavonoids in ungerminated and germinated (3, 5, and 7 days) Esmeralda and Perla barley. Different solvents (water, 50 % acetone, 80 % methanol, 80 % ethanol) were used to recover total phenols and flavonoids. The 7‐day germination proved to be ideal for total phenol and flavonoid obtention from Esmeralda barley and the highest total phenol and flavonoid content in Perla variety was observed at 5 and 7 days of germination, respectively. Methanol and ethanol (80 %) yielded the highest extraction percentage of total phenols; 50 % acetone recovered the highest flavonoid concentrations in Esmeralda barley and 80 % methanol in Perla barley. The highest total phenol concentration was obtained from Perla samples at 13.60 mg GAE/g, and the highest total flavonoids were observed in Esmeralda barley at 1.73 mg QE/g. A high correlation was found between the concentration of phenols (0.995) and total flavonoids (0.780) with the radicle size in the Esmeralda samples.
Targeted Anticancer Drug Delivery Using Chitosan, Carbon Quantum Dots, and Aptamers to Deliver Ganoderic Acid and 5‐Fluorouracil
Authors: Mazandarani Aynaz , Taravati Ali , Mohammadnejad Javad , Yazdian Fatemeh 
Published: August 2023

AbstractBreast cancer is a malignancy that affects mostly females and is among the most lethal types of cancer. The ligand‐functionalized nanoparticles used in the nano‐drug delivery system offer enormous potential for cancer treatments. This work devised a promising approach to increase drug loading efficacy and produce sustained release of 5‐fluorouracil (5‐FU) and Ganoderic acid (GA) as model drugs for breast cancer. Chitosan, aptamer, and carbon quantum dot (CS/Apt/COQ) hydrogels were initially synthesized as a pH‐sensitive and biocompatible delivery system. Then, CS/Apt/COQ NPs loaded with 5‐FU‐GA were made using the W/O/W emulsification method. FT‐IR, XRD, DLS, zeta potentiometer, and SEM were used to analyze NP's chemical structure, particle size, and shape. Cell viability was measured using MTT assays in vitro using the MCF‐7 cell lines. Real‐time PCR measured cell apoptotic gene expression. XRD and FT‐IR investigations validated nanocarrier production and revealed their crystalline structure and molecular interactions. DLS showed that nanocarriers include NPs with an average size of 250.6 nm and PDI of 0.057. SEM showed their spherical form, and zeta potential studies showed an average surface charge of +37.8 mV. pH 5.4 had a highly effective and prolonged drug release profile, releasing virtually all 5‐FU and GA in 48 h. Entrapment efficiency percentages for 5‐FU and GA were 84.7±5.2 and 80.2 %±2.3, respectively. The 5‐FU‐GA‐CS‐CQD‐Apt group induced the highest cell death, with just 57.9 % of the MCF‐7 cells surviving following treatment. 5‐FU and GA in CS‐CQD‐Apt enhanced apoptotic induction by flow cytometry. 5‐FU‐GA‐CS‐CQD‐Apt also elevated Caspase 9 and downregulated Bcl2. Accordingly, the produced NPs may serve as pH‐sensitive nano vehicles for the controlled release of 5‐FU and GA in treating breast cancer.
Trifunctional Dibromomaleimide Reagents Built Around A Lysine Scaffold Deliver Site‐selective Dual‐modality Antibody Conjugation
Authors: Zhao Yanbo , Chudasama Vijay , Baker James R. 
Published: August 2023

AbstractWe describe the synthesis and application of a selection of trifunctional reagents for the dual‐modality modification of native, solvent accessible disulfide bonds in trastuzumab. The reagents were developed from the dibromomaleimide (DBM) platform with two orthogonal clickable functional groups built around a lysine core. We also describe the development of an aryl diselenide additive which enables antibody disulfide reduction in 4 minutes and a rapid overall reduction‐bridging‐double click sequence.
Extended Biocatalytic Halogenation Cascades Involving a Single‐Polypeptide Regeneration System for Diffusible FADH2
Authors: Montua Nicolai , Sewald Norbert 
Published: August 2023

AbstractFlavin‐dependent halogenases have attracted increasing interest for aryl halogenation at unactivated C−H positions because they are characterised by high regioselectivity, while requiring only FADH2, halide salts, and O2. Their use in combined crosslinked enzyme aggregates (combiCLEAs) together with an NADH‐dependent flavin reductase and an NADH‐regeneration system for the preparative halogenation of tryptophan and indole derivatives has been previously described. However, multiple cultivations and protein purification steps are necessary for their production. We present a bifunctional regeneration enzyme for two‐step catalytic flavin regeneration using phosphite as an inexpensive sacrificial substrate. This fusion protein proved amenable to co‐expression with various flavin‐dependent Trp‐halogenases and enables carrier‐free immobilisation as combiCLEAs from a single cultivation for protein production and the preparative synthesis of halotryptophan. The scalability of this system was demonstrated by fed‐batch fermentation in bench‐top bioreactors on a 2.5 L scale. Furthermore, the inclusion of a 6‐halotryptophan‐specific dioxygenase into the co‐expression strain further converts the halogenation product to the kynurenine derivative. This reaction cascade enables the one‐pot synthesis of l‐4‐Cl‐kynurenine and its brominated analogue on a preparative scale.
Ten‐year clinical outcomes from a randomized trial comparing new‐generation everolimus‐eluting stent versus first‐generation Sirolimus‐eluting stent: Results from the RESET extended study
Authors: Shiomi Hiroki , Kozuma Ken , Morimoto Takeshi , Kadota Kazushige , Tanabe Kengo , Morino Yoshihiro , Tamura Toshihiro , Abe Mitsuru , Suwa Satoru , Ito Yoshiaki , Kobayashi Masakazu , Dai Kazuoki , Nakao Koichi , Tarutani Yasuhiro , Taniguchi Ryoji , Nishikawa Hideo , Yamamoto Yoshito , Yamasaki Tomohiro , Okamura Atsunori , Nakagawa Yoshihisa , Ando Kenji , Kobayashi Koichi , Kawai Kazuya , Hibi Kiyoshi , Kimura Takeshi ,   the RESET Investigators
Published: August 2023

AbstractBackgroundNew‐generation drug‐eluting stents (DES) achieved technological innovations and reported clinical advantages as compared with first‐generation DES in clinical trials with 3–5 years follow‐up. However, detailed clinical outcome data in very long‐term follow‐up is still scarce.ObjectivesTo evaluate 10‐year clinical outcomes after first‐ and new‐generation DES implantation.MethodsIn this extende follow‐up study of the RESET, which is a largest randomized trial comparing everolimus‐eluting stent (EES) with Sirolimus‐eluting stent (SES), the study population consisted of 2892 patients from 84 centers. The primary efficacy and safety endpoints were target lesion revascularization (TLR) and a composite of death or myocardial infarction (MI), respectively. Complete 10‐year follow‐up was achieved in 87.9% of patients.ResultsCumulative 10‐year incidences of TLR and non‐TLR were not significantly different between EES and SES (13.9% vs. 15.7%, Log‐rank p = 0.20, and 33.4% vs. 31.3%, Log‐rank p = 0.30). The cumulative 10‐year incidence of death/MI was also not significantly different between the groups (32.5% vs. 34.4%, Log‐rank p = 0.18). Cumulative 10‐year incidence of definite stent thrombosis was numerically lower in EES than in SES (1.0% vs. 1.7%, Log‐rank p = 0.16). The lower risk of EES relative to SES was significant for a composite endpoint of target lesion failure (TLF: 19.6% vs. 24.9%, Log‐rank p = 0.001) and target vessel failure (TVF: 26.7% vs. 31.4%, Log‐rank p = 0.006).ConclusionDuring 10‐year of follow‐up, the risks for primary efficacy and safety endpoints were not significantly different between new‐generation EES and first‐generation SES, although EES compared with SES was associated with a lower risk for composite endpoints such as TLF and TVF.
Dimension Tuning of All‐Inorganic Ag‐Based Metal Halides by Solvent Engineering
Authors: Yang Chuang , Wang Shanping , Chen Wenwen , Zhang Yu , Guo Fengwan , Zhou Yinhua , Wang Juan , Han Hongwei 
Published: August 2023

AbstractDimension growth of metal halides is important for its properties and applications. However, such dimension control of the metal halides is rarely reported in the literature and the growth mechanism is not clear yet. A minute difference of solvent properties can tremendously alter the process of nucleation and growth of crystals. Herein, an intriguing phenomenon of dimension tuning for Ag‐based metal halides is reported. The 1D Cs2AgCl3 crystals can be obtained in pure DMF while the 2D CsAgCl2 crystals are obtained in pure DMSO. Both exhibit bright yellow emission, which are derived from self‐trapping excitons (STEs). The photoluminescence quantum yield (PLQY) of Cs2AgCl3 (1D) and CsAgCl2 (2D) are 28.46 % and 20.61 %, respectively. In order to understand the mechanism of the dimension change, additional solvents (N,N‐dimethylacetamide, DMAC, 1,3‐Dimethyl‐Tetrahydropyrimidin‐2(1H)‐one, DMPU) are also selected to process the precursor for crystal growth. By comparing the functional group, dielectric constant, and donor number among the four solvents, we find the donor number plays the predominant role in nucleation process for Cs2AgCl3 and CsAgCl2. This research reveals the relationship between coordination ability of the solvent and the dimension of metal halides.
Phenylene‐containing polyethylenimine‐like polymers absorb and release CO2 to blow biomass‐based polyurethanes
Authors: Zhang Wen , Jiang Yang , Xie Xingyi 
Published: August 2023

AbstractCO2 adducts of hydrophobically modified polyethylenimines (PEIs) are promising alternatives to global warming halogen‐containing blowing agents of polyurethanes (PUs), despite the high cost of the raw material PEIs. Herein, an economical synthesis of PEI‐like polymers was explored via condensation between pentaethylenehexamine and terephthalaldehyde, followed by chemical reduction of the as‐formed Schiff base linkages. The resultant p‐phenylene‐containing polyamine polymers (PEIPs) could be grafted with alkyl (Cn) side chains and adducted with CO2 to form a new type of CO2‐releasing blowing agents for PUs designated as yCn‐xPEIP‐CO2s, where x and y represent the backbone molecular weight and the side chain grafting rate, respectively. Among them, the specimen 10%C8−3.6 kPEIP‐CO2 was the most effective in terms of good dispersibility in PU raw materials, low foam density (about 51 kg/m3), and uniform pore morphology. Moreover, the phenylene linkages enhanced the hydrophobicity of the consequent CO2 adducts and weakened the intermolecular hydrogen bonding and ionic attraction, both facilitating the dispersion of the corresponding blowing agents into a castor oil‐derived polyol, Polycin M‐365. The specimen 10%C8−3.6 kPEIP‐CO2 could disperse as suspended fine floccules that finally aggregated into a flocculent, liquid‐like bottom layer, being easily redispersed into the bulk. The unique compatibility with plant oil‐derived polyols and the economic availability would make the PEIP‐based blowing agents suitable for the next generation of sustainable and biomass‐based PU foams.