bluuebunny/crossref_metadata_2025 huggingface dataset:
Configurational Isomerization‐Induced Orientation Switching: Non‐Fused Ring Dipodal Phosphonic Acids as Hole‐Extraction Layers for Efficient Organic Solar Cells
Authors: Zhang Lei , Wang Yuxing , Wen Junjie , Huang Yifan , Gao Jiaxin , Duan Yuxin , Park Soohyung , Shin Woojin , Ma Zaifei , Liu Miao , Cho Sang Wan , Park Yeonju , Jung Young Mee , Lee Hyunbok , Liu Wenxu , Liu Yao
Published: August 2024

Phosphonic acid (PA) self‐assembled molecules have recently emerged as efficient hole‐extraction layers (HELs) for organic solar cells (OSCs). However, the structural effects of PAs on their self‐assembly behaviors on indium tin oxide (ITO) and thus photovoltaic performance remain obscure. Herein, we present a novel class of PAs, namely “non‐fused ring dipodal phosphonic acids” (NFR‐DPAs), featuring simple and malleable non‐fused ring backbones and dipodal phosphonic acid anchoring groups. The efficacy of configurational isomerism in modulating the photoelectronic properties and switching molecular orientation of PAs atop electrodes results in distinct substrate surface energy and electronic characteristics. The NFR‐DPA with linear (C2h symmetry) and brominated backbone exhibits favorable face‐on orientation and enhanced work function modification capability compared to its angular (C2v symmetry) and non‐brominated counterparts. This makes it versatile HELs in mitigating interfacial resistance for energy barrier‐free hole collection, and affording optimal active layer morphology, which results in an impressive efficiency of 19.11 % with a low voltage loss of 0.52 V for binary OSC devices and an excellent efficiency of 19.66 % for ternary OSC devices. This study presents a new dimension to design PA‐based HELs for high‐performance OSCs.
Physicochemical influence of graphite agent for fabrication of MoVTeNbO catalyst for direct oxidation of propene to acrylic acid
Authors: Rouzbahani Hossein Khosravi , Akbari Azam , Mazloom Golshan
Published: August 2024

MoV‐based composites stand out as the most promising potential catalysts targeted for direct production of acrylic acid from alkane/alkene substances. Herein, MoVTeNbO powder was synthesized and successfully fabricated by adding graphite as an appropriate tableting agent. Without employing graphite as lubricant, the fabrication of tablets was not practicable. The physicochemical effects of graphite on the catalyst properties were investigated via characterization by X‐ray diffraction (XRD), Brunauer–Emmett–Teller (BET), scanning electron microscopy (SEM), ammonia temperature‐programmed desorption (NH3‐TPD), and thermal gravimetric analysis (TGA) methods. In addition to the easy and operative formation of tablets by consisting graphite, TGA results indicated better thermal stability compared to the bare powder. No harmful impact of graphite on the catalyst crystalline phases and morphology was detected by XRD and SEM analysis. The SEM images proved the graphite incorporation as a binder in the physical combination of the catalyst particles along the compression process, resulting in the desired physical resistance. Graphite caused a slight decrease in the BET surface area and final catalyst acidity. Despite the effect of reducing propene conversion, interestingly, a substantial improvement in the yield of acrylic acid was found by tableting. The graphite as an inert agent suppressed hot spots on the catalyst surface, leading to superior consistency in activity over time as well as lower selectivity to undesirable COx.
A novel green approach for the construction of conductive glass fiber‐silver‐PANI ternary composites with efficient electromagnetic interference shielding and excellent thermal stability
Authors: Chandran Shine R. , Krishnan Raji R. , Johnson Elizabath , Prema K. H.
Published: August 2024

The study proposes a novel way of amalgamating three different materials to develop an effective electromagnetic interference (EMI) shielding material by completely utilizing the distinct properties of each one. First and foremost, binary composites have been prepared by combining with various weight of silver (1, 2, and 3 g) and constant weight percentages of glass fiber. The synthesis of the glass fiber‐silver‐PANI ternary composite is then brought about by PANI particles precisely encased on the surface of the glass fiber‐silver binary composite. The intertwining of a thin PANI coating on the binary composite is done successfully via simple in‐situ polymerization of aniline using lime juice as the dopant. The structural properties have been studied with XRD and FT‐IR. The SEM analysis reveals the effectual distribution of PANI on binary composite. The thermal stability of the composites has been studied using TG analysis. Most importantly, the glass fiber‐silver‐PANI ternary composite shows significantly high EMI shielding effectiveness up to 41 dB in the x‐band region.
Sprayable coating with poly(vinyl alcohol) modified metal–phenolic networks for slow‐release urea
Authors: Wang Xiaolin , Guo Heling , Wang Rongjie , Liu Xinghuan , Jia Xin
Published: August 2024

Urea plays a crucial role in agricultural production; however, issues of misuse and low utilization persist. To address this, a poly(vinyl alcohol) (PVA) modified metal–phenolic networks (MPNs) coating was developed to enable the slow release of urea. The coating formulations involved blending tannic acid (TA) and Fe3+ at different molar ratio, along with varying amount of PVA. The resulting TA‐Fe3+‐PVA coating with a 1:3 molar ratio of TA:Fe3+ and 1 mg/mL of PVA formulation exhibited stable and dense properties. Urea granules were then coated with this formulation using a fluidized bed technique, leading to reduction in nutrient release rate and increase in longevity. Especially, the nutrient release rate was approximately 10 days in soil. Pot experiments confirmed that the coated urea effectively enhanced cotton yield and quality. Therefore, the newly developed TA‐Fe3+‐PVA coated urea shows promising potential in agriculture for maintaining yield while reducing urea application amounts in the future.
A new Peirosauridae (Crocodyliformes, Notosuchia) from the Adamantina Formation (Bauru Group, Late Cretaceous), with a revised phylogenetic analysis of Sebecia
Authors: Ruiz Juan V. , Queiroz Marcos V. L. , Martins Kawan C. , Godoy Pedro L. , Iori Fabiano V. , Langer Max C. , Montefeltro Felipe C. , Bronzati Mario
Published: August 2024

Peirosauridae (Crocodyliformes, Notosuchia) is one of the fossil lineages of crocodyliforms ubiquitous in the Cretaceous deposits of the Bauru Basin. Here, we describe a new species of a longirostrine Peirosauridae from the Adamantina Formation (Bauru Basin, Late Cretaceous). The specimen consists of a partially preserved skull with a cranial roof, interorbital region, and fragments of the posterior portion of the rostrum, including the prefrontal and lacrimal; left hemimandible, with 14 alveoli and 12 teeth; and a single cervical rib fragment. The specimen is associated with Peirosauridae by three cranial synapomorphies, and it can be assigned to a new genus and species by presenting seven cranial and one tooth apomorphies. To clarify the position of the new taxon, an updated phylogenetic analysis was performed with increased sampling of taxa of Notosuchia, especially Peirosauridae, and phylogenetically relevant characters. Our results indicated the monophyly of Peirosauridae, formed by two main lineages, the oreinirostral and presumably terrestrial Peirosaurinae and the longirostrine and presumably semi‐aquatic Pepesuchinae. The recovering of both lineages as distinct entities was also reinforced through a morphospace analysis. Pepesuchinae were notable by exploring a position of the morphospace not explored by any other Notosuchia. Their longer rostra and the assumption of them being gradually specialized to aquatic habits reflects the unique diversity of these crocodyliforms through the Cretaceous deposits of South America and Africa.
High‐Performance CuInS2 Quantum Dot Sensitized Solar Cells Through I−/MPA Dual‐Ligands Passivation
Authors: Peng Zhuoyin , Gu Yongjie , Li Xing , Lu Beiying , Zhang Xinlong , Zhang Yuanfang , Liao Kai , Li Wei , Chen Keqiang
Published: August 2024

High‐efficiency quantum dot sensitized solar cells (QDSSCs) can be received by increasing quantum dot (QD) loading and mitigating QD surface trap states. Herein, the surface state of CuInS2 QDs is optimized through an I−/MPA dual‐ligands passivation strategy. The steric hindrance and electrostatic repulsion between QDs can be effectively reduced, thereby enabling an increased QD loading capacity. Meanwhile, the I−/MPA dual‐ligands passivation strategy can further lower the surface trap density, leading to substantially enhanced charge transfer efficiency of the solar cells. Interestingly, various iodized salts, including TBAI, MAI, and KI, are proved to possess comparable property, underscoring the versatility and broad applicability of this I−/MPA dual‐ligands passivation strategy. Eventually, CuInS2 QDSSCs based on the NH4I/MPA dual‐ligands exhibit a noteworthy enhancement in photovoltaic conversion efficiency, surpassing the benchmark of 5.71 % to reach 7.03 %.
Recent Advances in the Synthesis of N‐fluoroalkyl Amides/Sulfonamides and Their Carbonyl/Sulfonyl Derivatives
Authors: Jiang Lvqi , Lin Zhongquan , Liang Shuaishuai , Yi Wenbin
Published: August 2024

Organofluorine compounds have consistently demonstrated practical applications in the life sciences due to the fascinating properties imparted by the fluorine substituents. In recent years, significant advancements have been made in the synthesis of N‐fluoroalkyl carbonyl and sulfonyl compounds. This review offers a current overview of the various synthetic routes for N‐fluoroalkyl amides/sulfonamides and their transformation to new unexplored N‐fluoroalkyl carbonyl/sulfonyl derivatives, categorized into three parts based on the different fluoroalkyl groups.
Clinical application values of a novel synthetic training simulator for bulbar urethral anastomosis
Authors: Xue Jing‐Dong , Zhang Ping , Xu Yue‐Min , Sa Ying‐Long , Shu Hui‐Quan , Wang Lin , Xie Hong , Li Chao , Zhang Wei , Feng Chao , Wu Deng‐Long
Published: August 2024

Purpose

This study aimed to report a newly developed, high‐fidelity synthetic simulator to simulate excision and primary anastomotic (EPA) bulbar urethroplasty and its clinical use for new practitioners in shortening the learning curve.

Material and Methods

The bulbar urethral anastomosis simulator consists of several standardized components created according to the actual size of the male patient. Interns, novice residents, and fellows inexperienced with urethral reconstruction (n = 10, 5, 5) from different medical centres were invited to participate in the training programme. Two reconstructive urology experts monitored each practice. Following the training, three kinds of validity testing were used to assess the simulator: face, content, and construct. In the intern group, the task performance in the first five training sessions and the last five training ones were compared using a self‐control approach. In the resident and fellow group, the real surgical data, including estimated blood loss, operative duration, and 6‐month post‐operative success rate of trainees after training, are plotted, which are compared with that of reconstructive urology experts (n = 5) included retrospectively to study the effectiveness of the simulator in shortening the learning curve.

Results

The overall mean satisfaction rate for the simulators was inspiring and evaluated by experts. In the intern group, significant improvement can be achieved through 10 training sessions (p < 0.05). In clinical practice, the intraoperative indicators and surgical success rate of both the training groups showed the tendency to close or even better than those in the expert group. In terms of the learning curve, training groups performed better compared with experts in the early stages of their careers.

Conclusions

In conclusion, this synthetic training simulator for bulbar urethral anastomosis is novel, effective, and convenient for beginners of different groups. The training course can bridge the gap between preclinical use and actual surgery via this simulator.
Characterizing interactions of endoplasmic reticulum resident proteins in situ through the YST‐PPI method
Authors: Fan Xian , He Huahua , Wang Ting , Xu Pan , Zhang Faying , Hu Shantong , Yun Yueli , Mei Meng , Zhang Guimin , Yi Li
Published: August 2024

The mutual interactions of endoplasmic reticulum (ER) resident proteins in the ER maintain its functions, prompting the protein folding, modification, and transportation. Here, a new method, named YST‐PPI (YESS‐based Split fast TEV protease system for Protein‐Protein Interaction) was developed, targeting the characterization of protein interactions in ER. YST‐PPI method integrated the YESS system, split‐TEV technology, and endoplasmic reticulum retention signal peptide (ERS) to provide an effective strategy for studying ER in situ PPIs in a fast and quantitative manner. The interactions among 15 ER‐resident proteins, most being identified molecular chaperones, of S. cerevisiae were explored using the YST‐PPI system, and their interaction network map was constructed, in which more than 74 interacting resident protein pairs were identified. Our studies also showed that Lhs1p plays a critical role in regulating the interactions of most of the ER‐resident proteins, except the Sil1p, indicating its potential role in controlling the ER molecular chaperones. Moreover, the mutual interaction revealed by our studies further confirmed that the ER‐resident proteins perform their functions in a cooperative way and a multimer complex might be formed during the process.
Transformative effects of lactic acid fermentation on maize and quality protein maize: Phytochemical characterization, functional properties, and structural features
Authors: Sharma Kritika , Sharma Savita , Sharma Rajan , Bobade Hanuman , Singh Baljit , Kumar Ramesh
Published: August 2024

Background and Objective

Fermentation has a huge potential to improve the nutritional and functional properties by using the biological activity of the grain itself. The current study was performed to optimize the conditions for the fermentation of Quality Protein Maize (QPM) and maize further; the impact of fermentation treatment on the bio‐techno‐functional properties of QPM and maize flour was assessed.

Findings

The technological properties, including oil absorption capacity, water solubility index, emulsion activity and stability, foaming capacity and stability, protein solubility, gel consistency, and least gelation concentration, were found to be increased with the fermentation treatment, while water absorption capacity, paste clarity, and swelling power observed a decline. The findings suggested elevated levels of all the bioactive constituents with the fermentation process. The modulations at the molecular level were confirmed by the scanning electron micrographs of fermented flour. Further, changes in the peaks of Fourier transform infrared spectra and the emergence of new peaks were also reported.

Conclusions

The fermentation treatment altered the techno‐functional properties, bioactive constituents, macromolecular structure, and molecular interactions of QPM and maize flour.

Significance and Novelty

Limited literature is available dedicated to the assessment of the nutritional, techno‐functional, and phytochemical components in QPM and maize as influenced by the fermentation process. Further, changes in the structural and molecular interactions in the flour components due to fermentation treatment have not been studied comprehensively.
Influence of Copper Surfaces on CO2 vs. CO C−C Coupling Efficiency
Authors: Lin Wen‐Yu , Chen Zong‐Xian , Wu Ting‐You , Lin Hong‐Wei , Xiong Haocheng , Chen Wei‐Sen , Lu Qi , Cheng Mu‐Jeng
Published: August 2024

CO2 electrochemical reduction (CO2ER) powered by renewable electricity is critical for transitioning to a carbon‐neutral society by transforming CO2 into essential commodities and fuels. The formation of multi‐carbon compounds through C−C coupling reactions is crucial due to their high energy density and broad industrial uses. Traditionally, C−C coupling was believed to occur through the reaction of *CO (surface‐bound CO) with *C1 intermediates (surface‐bound hydrocarbons with one carbon atom produced during CO2ER). In this study, we used DFT calculations combined with a constant electrode potential model to discover a preference for CO2+*C1 over conventional *CO+*C1 coupling on three commonly observed copper surfaces including Cu(111), Cu(110), and Cu(100). This result demonstrates that CO2 is a more efficient carbon source than *CO for coupling with *C1. Among the nine *C1 species investigated, *CHO, *CHOH, *C, *CH, and *CH2 show greater reactivity towards CO2+*C1 couplings on all the surfaces. Thus, enhancing CO2ER efficiency necessitates increasing the surface concentrations of these five *C1 intermediates, and several strategies have been proposed to accomplish this goal.
The Key Role of Proton‐Responsive Groups in Electrochemical Hydrogen Evolution Reaction
Authors: Kumar Mandal Sanajit , Ray Saswati , Choudhury Joyanta
Published: August 2024

The much‐needed global shift from fossil fuels to sustainable energy is driving significant attention towards hydrogen (H2) as a promising alternative. Proton reduction, a process central to H2 production, is a key area of research for this transition. Naturally‐occurring [FeFe] and [NiFe]‐hydrogenase enzymes play vital roles in the reversible production and oxidation of H2. These enzymes feature a proton‐relay unit comprising of pendant amine and thiol groups in the secondary coordination sphere at the active site. This unit accelerates the rate of H2 production/oxidation, making it a focal point for scientific exploration. Efforts are concentrated on mimicking the active sites of these enzymes both structurally and functionally. In this pursuit, many synthetic transition metal complexes with proton‐responsive units at the secondary coordination sphere of the active site mimic the enzyme's behavior. These units facilitate intramolecular metal‐hydride (M−H) generation and H2‐elimination via H+/H−s coupling, leveraging the proton from the pendant functional group and the hydride from the M−H intermediate. This review delves into electrocatalysts featuring pendant proton‐responsive units and their roles in the electrochemical hydrogen evolution reaction (eHER).
Complexes of a Frustrated Lewis Pair‐Supported P(−1) Ligand
Authors: Frenette Brandon L. , Ferguson Michael J. , Rivard Eric
Published: August 2024

Several complexes of the intramolecular frustrated Lewis pair (FLP)‐supported P(−1) ligand [iPr2P(C6H4)BCy2{P}]− are presented (Cy=cyclohexyl). Chief among these is the first example of a monomeric zinc bis(phosphido) complex, which was synthesized as a potential precursor for the solution‐phase deposition of Zn3P2. While this goal was ultimately unsuccessful, the Zn(II) complex acts as a convenient springboard to other metal phosphide species via transmetallation: affording a tellurium bis(phosphido) complex and a formal adduct of the phosphorus subhalide PPCl2. Trapping experiments show that the PPCl2 adduct can also be prepared directly through the in situ reduction of PCl3 in the presence of an intramolecular FLP ligand. Lastly, we report a formal η2‐phosphaborene complex of cobalt(−1) which is isoelectronic to olefin complexes, and explore its bonding via density functional theory (DFT) computations.
Experimental Demonstration of the Production of Hydrogen and Water‐Free Formaldehyde Using Sodium Vapor
Authors: Kamienowska Marta , Deutschmann Max Philipp , Bender Michael , Stoppel Leonid , Daubner Markus , Wetzel Thomas , Niedermeier Klarissa
Published: August 2024

Conventional routes for the production of formaldehyde rely on the use of methanol and air, with the presence of catalysts such as silver or mixed‐metal oxides. These processes are highly energy intensive and therefore raise concerns in terms of cost‐effectiveness and environmental impact. In that respect, sodium or sodium compounds are more favorable as catalysts for the direct dehydrogenation of methanol to water‐free formaldehyde. A method is presented for the coproduction of hydrogen and anhydrous formaldehyde – both valuable products – on the laboratory scale, with a particular focus on the design and testing of a sodium vapor catalyst dosing unit that enables the process to be performed continuously.
Enhancing energy efficiency: Design and simulation of air fractionation unit integrated through LNG cold energy and two‐stage organic Rankine cycles
Authors: Shingan Bhalchandra , Pandiyan Karthikraja , Gupta Dharmendra Kumar
Published: August 2024

The study explores air separation processes, proposing an innovative design incorporating liquid natural gas (LNG)'s two‐stage Rankine cycles to address traditional approaches' complexity and energy intensity. Significant wastage of energy during air compression in standard units is recuperated for liquefied natural gas regasification, with a focus on enhancing cold energy recovery, emphasizing cryogenic LNG advantages. Aspen HYSYS (12.1) is used for process modelling and simulation evaluating a combined two‐stage Rankine cycle integrated into air separation. Specific energy requirements for high‐purity oxygen and nitrogen production are reduced to 0.38 and 0.12 kWh/kg, respectively. The integrated Rankine cycle generates 4456.32 kW, which is sufficient for air separation process. Exergy destruction and component efficiency are explored and parametric optimization, revealing LNG variables' significant impact. Economic analysis indicates a fair 5.25‐year payback period. This approach aligns with sustainability goals, providing a compelling efficiency‐enhancing option for the LNG sector.
A semi‐automatic method for block‐structured hexahedral meshing of aortic dissections
Authors: Bošnjak Domagoj , Pepe Antonio , Schussnig Richard , Egger Jan , Fries Thomas‐Peter
Published: August 2024

The article presents a semi‐automatic approach to generating structured hexahedral meshes of patient‐specific aortas ailed by aortic dissection. The condition manifests itself as a formation of two blood flow channels in the aorta, as a result of a tear in the inner layers of the aortic wall. Subsequently, the morphology of the aorta is greatly impacted, making the task of domain discretization highly challenging. The meshing algorithm presented herein is automatic for the individual lumina, whereas the tears require user interaction. Starting from an input (triangle) surface mesh, we construct an implicit surface representation as well as a topological skeleton, which provides a basis for the generation of a block‐structure. Thereafter, the mesh generation is performed via transfinite maps. The meshes are structured and fully hexahedral, exhibit good quality and reliably match the original surface. As they are generated with computational fluid dynamics in mind, a fluid flow simulation is performed to verify their usefulness. Moreover, since the approach is based on valid block‐structures, the meshes can be made very coarse (around 1000 elements for an entire aortic dissection domain), and thus promote using solvers based on the geometric multigrid method, which is typically reliant on the presence of a hierarchy of coarser meshes.
Information interactions on social media platforms and the quality of corporate social responsibility disclosure: Evidence from Chinese listed firms
Authors: Niu Zhiyong , Wang Chen , Wang Chunyan , Wang Xiaowei , Zhu Ziyi
Published: August 2024

The public pay special attention on the disclosure of corporate social responsibility (CSR) nowadays, and how to improve the quality of corporate social responsibility information disclosure and analyze its influencing factors has been the focus of theoretical and practical circles. This study aims to analyze how the information interactions on social media platform affect CSR disclosure quality by using the data of East Money Guba Stock Forum from 2010 to 2021 in China. This paper shows that the information interactions from investors on social media platform can significantly improve the CSR disclosure quality. The result is more pronounced when the online information topics were related with CSR and contained negative sentiment. In addition, we found that the positive relationship between information interactions and CSR disclosure quality is positively moderated by market competition and managerial shareholder, however, the positive relationship is weakened in state‐owned enterprises (SOEs). These findings are robust to using alternative tests. Finally, our analysis confirms that social media information interactions affect CSR disclosure quality by improving information disclosure and corporate governance quality. This study enriches the relevant literature on the economic consequences of social media in emerging markets and provides relevant implications to better drive the CSR disclosure of enterprises. These findings have important implications for policymakers.
A Long‐Cycle‐Life Reversible Li‐CO2 Battery Enabled by Engineering the Active Sites of Graphene with Pd Nanoparticles
Authors: Wang Di , Li Linyue , Li Xiang , Han Wenjie , Dan Binbin , Li Shixuan , Liu Xiang , Wang Zhoulu , He Ping
Published: August 2024

Li‐CO2 batteries have been recognized as an emerging technology for energy storage systems owing to their high theoretical specific energy and environmentally friendly CO2 fixation ability. However, their development for applications requires a high energy efficiency and long cycle‐life, this is currently limited to the formation of wide‐bandgap insulator Li2CO3 during discharge. Here, nanoparticle Pd supported on reduced graphene oxide (rGO) is utilized as cathodes for Li‐CO2 batteries, Pd nanoparticles as active centers significantly enhance CO2RR/CO2ER reaction activity, which can support the fast formation and decomposition of Li2CO3 in organic electrolytes and achieve a high discharge capacity of 7500 mAh g−1. It also performs remarkably high cycling stability of over 500 cycles with a long cycle‐life of 5000 hours. The observed super electrochemical performance is attributable to the thick electrode design and uniform distribution of ultrafine catalyst nanoparticle Pd. When Li2CO3 is adsorbed on Pd particle, the Li−O bond in Li2CO3 will be elongated due to the interactions of two nucleophilic O atoms with Pd, resulting in a weakening of the Li−O bond and activation of Li2CO3. Our work suggests a way to design catalysts with high activity that can be used to activate the performance of Li‐CO2 batteries.
Potassium Carbonate as a Low‐Cost and Highly Active Solid Base Catalyst for Low‐Temperature Methanolysis of Polycarbonate
Authors: Lin Tzu‐Ming , Anggo Krisbiantoro Philip , Sato Miyu , Chang Yu‐Chia , Atayde Eduardo C. , Liao Weisheng , Kamiya Yuichi , Otomo Ryoichi , Wu Kevin C.‐W.
Published: August 2024

As the demand for polycarbonate (PC) plastic increases over the years, the development of a chemical recycling system to produce virgin‐like‐quality monomers is indispensable not only to attain completely sustainable cycles but also to contribute to the decrease in global plastic pollution. Herein, potassium carbonate (K2CO3) was used as a low‐cost, readily available, and highly active solid base catalyst for low‐temperature PC methanolysis in the presence of THF as a solvent, producing highly pure and crystalline bisphenol A (BPA) and with a catalytic performance higher than group IIA metal oxides (MgO, CaO, and SrO) and some group IA metal carbonates (NaHCO3, KHCO3, and Na2CO3). THF was the best solvent in aiding the reaction owing to it having a similar polar parameter (δp) to that of PC according to Hansen solubility parameters. By the reaction over the catalyst, 100% PC conversion, 97% BPA yield, and 86% dimethyl carbonate yield were achieved within just 20 min at 60 °C. The catalyst possessed an apparent activation energy (Ea) of 52.3 kJ mol−1, which is the lowest value so far for heterogeneous catalysts, while the mechanistic study revealed that the reaction proceeded via the methoxide pathway. The reusability test demonstrated that the catalyst was reusable at least four times. Furthermore, this catalytic system was successfully applied to actual post‐consumer PC wastes and polyesters, including polyethylene terephthalate (PET) and polylactic acid (PLA).
Inhibition of myeloperoxidase to treat left ventricular dysfunction in non‐ischaemic cardiomyopathy
Authors: Geissen Simon , Braumann Simon , Adler Joana , Nettersheim Felix Sebastian , Mehrkens Dennis , Hof Alexander , Guthoff Henning , von Stein Philipp , Witkowski Sven , Gerdes Norbert , Tellkamp Frederik , Krüger Marcus , Isermann Lea , Trifunovic Aleksandra , Bunck Alexander C. , Mollenhauer Martin , Winkels Holger , Adam Matti , Klinke Anna , Buch Gregor , ten Cate Vincent , Hellmich Martin , Kelm Malte , Rudolph Volker , Wild Philipp S. , Rosenkranz Stephan , Baldus Stephan
Published: August 2024

Aims

Non‐ischaemic cardiomyopathy (NICMP), an incurable disease terminating in systolic heart failure (heart failure with reduced ejection fraction [HFrEF]), causes immune activation, however anti‐inflammatory treatment strategies so far have failed to alter the course of this disease. Myeloperoxidase (MPO), the principal enzyme in neutrophils, has cytotoxic, pro‐fibrotic and nitric oxide oxidizing effects. Whether MPO inhibition ameliorates the phenotype in NICMP remains elusive.

Methods and results

Prognostic information from MPO was derived from proteomic data of a large human cardiovascular health cohort (n = 3289). In a murine model of NICMP, we studied the mechanisms of MPO in this disease. In a case series, the MPO inhibitor was also evaluated in NICMP patients. Individuals with increased MPO revealed higher long‐term mortality and worsening of heart failure, with impaired prognosis when MPO increased during follow‐up. MPO infusion attenuated left ventricular ejection fraction (LVEF) in mice with NICMP, whereas genetic ablation or inhibition of MPO decreased systemic vascular resistance (SVR, 9.4 ± 0.7 mmHg*min/ml in NICMP vs. 6.7 ± 0.8 mmHg*min/ml in NICMP/Mpo−/−mice, n = 8, p = 0.006, data expressed as mean ± standard error of the mean) and improved left ventricular function (LVEF 30.3 ± 2.2% in NICMP vs. 40.7 ± 1.1% in NICMP/Mpo−/− mice, n = 16, p < 0.0001). Four patients diagnosed with NICMP and treated with an MPO inhibitor over 12 weeks showed increase in LVEF, decline in natriuretic peptides and improved 6‐min walking distance. MPO inhibitor‐related changes in the proteome of NICMP patients predicted reduced mortality when related to the changes in the proteome of the above referenced cardiovascular health cohort.

Conclusions

Myeloperoxidase predicts long‐term outcome in HFrEF and its inhibition elicits systemic anti‐inflammatory and vasodilating effects which translate into improved left ventricular function. MPO inhibition deserves further evaluation as a novel, complementary treatment strategy for HFrEF.
Synthesis of Double Benzimidazole‐Fused Quinazolines and Pyrimidines Catalyzed by Recyclable Magnetic Cu‐MOF‐74
Authors: Lee Seong Weon , Dao Pham Duy Quang , Cho Chan Sik
Published: August 2024

2‐(2‐Bromoaryl)‐ and 2‐(2‐bromovinyl)benzimidazoles are combined and cyclized with benzimidazoles using a catalytic amount of magnetic Cu‐MOF‐74 (Fe3O4@SiO2@Cu‐MOF‐74) and a base under O2 atmosphere, yielding the corresponding double benzimidazole‐fused quinazolines and pyrimidines. The catalyst can be recovered using a magnetic bar and reused multiple times without significant loss of catalytic activity. The reaction mechanism likely involves the initial formation of a C−N coupled intermediate through nucleophilic aromatic substitution, followed by oxidative cyclization.
Nursing of forearm hematoma after transradial coronary intervention
Authors: Zhi Guangshuo , Lei Mengjie , Qian Shuang , Zhang Chunyan , Li Yachao , Zhao Zhigang , Xue Zengming
Published: August 2024

Background

Complications such as forearm hematoma after coronary intervention through the radial artery are a common complication.

Material and methods

By observing, describing, and analyzing the pictures taken during clinical diagnosis and consultation, we summarize the prevention, treatment, and nursing of forearm hematoma after percutaneous coronary intervention, to provide reference for the nursing of patients with forearm hematoma.

Results

We have innovatively summarized the risk classification of forearm hematoma and the three key time points for preventing hematoma.

Conclusion

Complications such as forearm hematoma after coronary intervention through the radial artery are a common complication. We have innovatively summarized the risk classification of forearm hematoma and the three key time points for preventing hematoma, providing reference for the prevention and management of forearm hematoma in clinical practice. For patients undergoing transradial coronary intervention, the three key time points for preventing hematoma and symptomatic management based the risk classification of forearm hematoma are crucial.
Clinical characteristics, outcomes and persistent symptoms of pregnant women with COVID‐19: A retrospective cohort study
Authors: Ghizzoni Ana Paula Orlandi , Santos André Kulzer , de Braga Raimunda Sinthia Lima , Duz João Vitor Vigne , Bouvier Vitoria Dall’agnol , de Souza Marina Scheffer , Silva Denise Rossato
Published: August 2024

Objective

The aim of this study was to evaluate the clinical characteristics and outcomes of pregnant women with COVID‐19 and to compare with pregnant women without COVID‐19. In addition, in the subgroup of patients who were symptomatic at the time of diagnosis, the persistence of symptoms was assessed.

Methods

This was a retrospective cohort study. All pregnant women aged ≥18 years, admitted to the maternity ward from March 2020 to September 2023 were included in the study. All patients admitted were routinely screened for SARS‐CoV‐2. Clinical characteristics and outcomes were registered.

Results

During the study period, 880 patients met the inclusion and were included in the analysis: 385 were COVID‐19 positive and 495 were COVID‐19 negative. In a multivariate analysis of the outcomes associated with COVID‐19 among pregnant women, hospitalization and the Apgar score at 5 min were independently associated with COVID‐19. Cesarean delivery, preterm birth, Apgar scores at 1 and 5 min <7, and maternal death were more frequent in pregnant women with COVID‐19 admitted to ICU than in those not admitted to ICU. Approximately 30% of patients had persistence of symptoms, for at least 6 months in almost 60%.

Conclusion

The findings of the present study suggest that COVID‐19 was associated with increased morbidity and mortality among pregnant women. In addition, pregnant women with SARS‐CoV‐2 infection were at significantly higher risk of adverse perinatal outcomes, especially preterm birth.
GLAN: Global Local Attention Network for Thoracic Disease Classification to Enhance Heart Failure Diagnosis
Authors: Li Dengao , Mu Yujia , Zhao Jumin , Shi Changcheng , Wang Fei
Published: August 2024

Chest x‐ray (CXR) is an effective method for diagnosing heart failure, and identifying important features such as cardiomegaly, effusion, and edema on patient chest x‐rays is significant for aiding the treatment of heart failure. However, manually identifying a vast amount of CXR data places a huge burden on physicians. Deep learning's progression has led to the utilization of this technology in numerous research aimed at tackling these particular challenges. However, many of these studies utilize global learning methods, where the contribution of each pixel to the classification is considered equal, or they overly focus on small areas of the lesion while neglecting the global context. In response to these issues, we propose the Global Local Attention Network (GLAN), which incorporates an improved attention module on a branched structure. This enables the network to capture small lesion areas while also considering both local and global features. We evaluated the effectiveness of the proposed model by testing it on multiple public datasets and real‐world datasets. Compared to the state‐of‐the‐art methods, our network structure demonstrated greater accuracy and effectiveness in the identification of three key features: cardiomegaly, effusion, and edema. This provides more targeted support for diagnosing and treating heart failure.
Zur Gliederung der Subsektion Oenothera (Sektion Oenothera, Oenothera L., Onagraceae)
Authors: Rostański Krzysztof
Published: August 2024

Auf Grund der in den letzten Jahren publizierten Arbeiten zur Taxonomie und geographischen Verbreitung der Oenotheren, sowohl vom Autor selbst als auch von anderen Bearbeitern, und nach kritischer Revision der Herbarbelege von Oenothera aus verschiedenen Herbarien Europas sowie unter Berücksichtigung der neuesten Anordnung der Oenothera‐Arten und Synonyme innerhalb der Subsektion Euoenothera (Raven, Dietrich & Stubbe 1979) ist eine neue Gliederung der Subsektion Oenothera vorgeschlagen worden.

Die folgenden Series sind neu besehrieben worden: Linderia (mit 7 Arten), Devriesia (18 Arton und 5 Bastarde), Oenothera (37 Arten und 15 Bastarde), Stubbia (2 Arten) und Ruggleaia (21 Arten und 3 Bastarde).

Nach der Revision der Oenothera‐Belege konnte die genaue Synonymik der 10 in Europa beschriebenen Arten festgestellt werden: Oenothera renneri H. Scholz = Oe. canovirens Steele; Oe. hungarica Borbás = Oe. salicifolia Desf. ex G. Don, non Oe. villosa Thuhberg; Oe. nissensis Rostański = Oe. victorini Gates; Oe. lipsiensusu Rostański et Gutte = Oe. deflexa Gates; Oe. turoviensis Rostański = Oe. royfraseri Gates; Oe. chicaginensis De Vries ex Renner = Oe. pyenocarpa Atkinson et Bartlett; Oe. cambrica Rostański = Oe. novae‐scotiae Gates; Oc. erateinensis Linder et Jean = Oe. perangusta Gates = Oe. strigosa (Rydb.) Mackenzie et Bush sensu Rydberg, non auct.; Oe. silesiaca Renner = Oe. subterminalis Gates; Oe. rubicuspis Renner ex Rostański = Oe. angustissima Gates; ebenso von der amerikanischen Oe. atrovirens Shull et Bartlett apud auct. europ. = Oe. cruciata Nuttal ex G. Bon.
Untersuchungen zum Wasserhaushalt in der Halbwüstenvegetation des Gobi‐Altai (MVR)1)
Authors: Helmecke K. , Bumžaa D.
Published: August 2024

Am Südufer des Orog‐nuur wurden im Zusammenhang mit geobotanischen und mikroklimatischen Arbeiten auch Untersuchungen zum Wasserhaushalt der Halbwüstenvegetation durchgeführt. Dabei erfolgte die Bestimmung der Bodenfeuchtigkeit, der Saugspannung und des potentiellen osmotischen Druckes (π*) der Pflanzen. Am Beispiel der südlichen Beifläche des Orog‐nuur konnte die gute Anwendbarkeit der Bestimmung von π* zur Beurteilung des Wasserhaushaltes am Standort aufgezeigt werden.
Evaluating the Feasibility of Short Dental Implants as Alternatives to Long Dental Implants in Mandibular Bone: A Finite Element Study
Authors: Deshmukh Prathamesh , Dhatrak Pankaj
Published: August 2024

This study uses finite element analysis to investigate the potential application of shorter dental implants as a substitute for longer implants in the lower jaw (mandible). FEA allows the evaluation of the stress patterns around the implant‐bone interface, a critical factor for successful osseointegration. Ten models were generated, encompassing five long (L1‐L5) and five short implant models (S1‐S5) with variations in diameter and length. Hypermesh software was utilized to meticulously prepare the FEA models, ensuring accurate mesh generation. The FEA simulations were conducted under four distinct loading scenarios (100 N occlusal load, 40 N lateral load, 100 N oblique at 30°, and 100 N oblique at 45°) to realistically mimic the forces exerted during biting, using an ABAQUS CAE solver. The results revealed that the von Mises stress generated within the short implant models was demonstrably lower compared to their long implants. Additionally, a significant drop in stress was observed with increasing the diameter of the short implants, to a certain diameter range. These findings suggest the potential for successful substitution of long implant model L4 with short implant model S4 due to the demonstrably lower stress values achieved. Furthermore, the data indicates the possibility of utilizing short implant models S3 and S5 as alternatives to long implant models L3 and L5, respectively. These observations hold significant promise for evaluating the feasibility of replacing long implants with shorter variants, potentially leading to a reduction in implant‐related failures.
Ab initio electronic absorption spectra of para‐nitroaniline in different solvents: Intramolecular charge transfer effects
Authors: Máximo‐Canadas Matheus , Modesto‐Costa Lucas , Borges Itamar
Published: August 2024

Intramolecular charge transfer (ICT) effects of para‐nitroaniline (pNA) in eight solvents (cyclohexane, toluene, acetic acid, dichloroethane, acetone, acetonitrile, dimethylsulfoxide, and water) are investigated extensively. The second‐order algebraic diagrammatic construction, ADC(2), ab initio wave function is employed with the COSMO implicit and discrete multiscale solvation methods. We found a decreasing amine group torsion angle with increased solvent polarity and a linear correlation between the polarity and ADC(2) transition energies. The first absorption band involves π → π* transitions with ICT from the amine and the benzene ring to the nitro group, increased by 4%–11% for different solvation models of water compared to the vacuum. A second band of pNA is characterized for the first time. This band is primarily a local excitation on the nitro group, including some ICT from the amine group to the benzene ring that decreases with the solvent polarity. For cyclohexane, the COSMO implicit solvent model shows the best agreement with the experiment, while the explicit model has the best agreement for water.
Preliminary Research of Radiolabeled Atezolizumab for the Noninvasive Evaluation of TNBC PD‐L1 Expression In Vivo
Authors: He Shuhua , Jia Lina , Zheng Xiaobei , Wang Yang , Liu Yuxia , Zhang Lan
Published: August 2024

Programmed death‐ligand 1 (PD‐L1) expression is related to the efficacy and prognosis in triple‐negative breast cancer. This study employed an indirect labeling method to synthesize [125I]PI‐Atezolizumab. The in vitro stability of [125I]PI‐Atezolizumab was assessed through incubation in phosphate buffered saline and fetal bovine serum, revealing sustained stability. Specific binding of [125I]PI‐Atezolizumab to MDA‐MB‐231 cells expressing humanized PD‐L1 was assessed through in vitro incubation, yielding a Kd value comparable to that of Atezolizumab. This suggests that the labeling process did not compromise the affinity of the Atezolizumab to PD‐L1. Subsequently, pharmacokinetic studies were conducted in normal mice and biodistribution experiments in tumor‐bearing mice. A comparison of the biodistribution results between [125I]PI‐Atezolizumab and 125I‐labeled Atezolizumab indicated better in vivo stability for the former. Single photon emission computed tomography (SPECT)/CT imaging further confirmed the targeted specificity of [125I]PI‐Atezolizumab for PD‐L1 in MDA‐MB‐231 xenografts, which were validated by immunohistochemistry staining. This research underscores the utility of [125I]PI‐Atezolizumab, prepared via indirect labeling, for monitoring PD‐L1 in triple‐negative breast cancer models.
Macro View of the Place and Impact of Artificial Intelligence on the Design, Content, Delivery, and Student Engagement in Graduate Leadership Education Programs
Authors: Goryunova Elizabeth , Jenkins Daniel
Published: August 2024

Accelerated development and engagement of artificial intelligence are among the most significant global challenges in transforming the social and economic environment, resulting in the heightened emphasis on inclusive, collaborative, ethical decision‐making and responsible leadership. Higher education is an integral part of the global landscape of society and is influenced by its changing context. Accordingly, leadership educators must respond to the changes in the global and institutional environments and the new leadership paradigm in designing and implementing their leadership education programs. Here, we consider the macro level of the “place” within which higher education institutions are situated and reflect upon the impact of Artificial Intelligence on the design and delivery of leadership education programs.
Simultaneous Increase of Mean Susceptibility and Mean Kurtosis in the Substantia Nigra as an MRI Neuroimaging Biomarker for Early‐Stage Parkinson's Disease: A Systematic Review and Meta‐Analysis
Authors: Mohammadi Sana , Ghaderi Sadegh , Mohammadi Hossein , Fatehi Farzad
Published: August 2024

Background

Parkinson's disease (PD) is the second most common neurodegenerative disorder. Early detection is crucial for treatment and slowing disease progression.

Hypothesis

Simultaneous alterations in mean susceptibility (MS) from quantitative susceptibility mapping (QSM) and mean kurtosis (MK) from diffusion kurtosis imaging (DKI) can serve as reliable neuroimaging biomarkers for early‐stage PD (ESPD) in the basal ganglia nuclei, including the substantia nigra (SN), putamen (PUT), globus pallidus (GP), and caudate nucleus (CN).

Study Type

Systematic review and meta‐analysis.

Population

One hundred eleven patients diagnosed with ESPD and 81 healthy controls (HCs) were included from four studies that utilized both QSM and DKI in both subject groups.

Field Strength/Sequence

Three‐dimensional multi‐echo gradient echo sequence for QSM and spin echo planar imaging sequence for DKI at 3 Tesla.

Assessment

A systematic review and meta‐analysis using PRISMA guidelines searched PubMed, Web of Science, and Scopus.

Statistical Tests

Random‐effects model, standardized mean difference (SMD) to compare MS and MK between ESPD patients and HCs, I2 statistic for heterogeneity, Newcastle‐Ottawa Scale (NOS) for risk of bias, and Egger's test for publication bias. A P‐value <0.05 was considered significant.

Results

MS values were significantly higher in SN (SMD 0.72, 95% CI 0.31 to 1.12), PUT (SMD 0.68, 95% CI 0.29 to 1.07), and GP (SMD 0.53, 95% CI 0.19 to 0.87) in ESPD patients compared to HCs. CN did not show a significant difference in MS values (P = 0.15). MK values were significantly higher only in SN (SMD = 0.72, 95% CI 0.16 to 1.27). MK values were not significantly different in PUT (P = 1.00), GP (P = 0.97), and CN (P = 0.59). Studies had high quality (NOS 7‐8) and no publication bias (P = 0.967).

Data Conclusion

Simultaneous use of MS and MK may be useful as an early neuroimaging biomarker for ESPD detection and its differentiation from HCs, with significant differences observed in the SN.

Evidence Level

2

Technical Efficacy

Stage 2
Despite the haters: The immense promise and progress of diversity, equity, and inclusion initiatives
Authors: Nittrouer Christine L. , Arena David , Silver Elisabeth R. , Avery Derek R. , Hebl Mikki R.
Published: August 2024

In the current paper, we discuss the positive impact of diversity, equity, and inclusion (DEI) initiatives in our workplaces, including the historical movements that led to their inception as well as the reactions that have resulted in forms of resistance and backlash. Although there may be risks inherent in engaging in social justice work within organizations, we summarize the large body of empirical work documenting the immense benefits of choosing to do so. We argue that the promise of DEI initiatives is evidenced in the research‐based findings demonstrating the effectiveness of those initiatives that have emerged over time (e.g., including both representation and inclusion focused initiatives). The progress made by several DEI initiatives that are still being fully explored is discussed, and we maintain their effectiveness within certain contexts provided the use of current empirical evidence. We conclude by suggesting the evolving science behind DEI initiatives is exactly what we would expect when responsibly employing the scientific method and, that by reviewing the data, it is clear that the long‐term benefits provided by DEI initiatives far outweigh any short‐term risks.