bluuebunny/crossref_metadata_2025_split huggingface dataset:
Copper Functionalized SnSe Nanoflakes Enabling Nonlinear Optical Features for Ultrafast Photonics
Authors: Ren Ke , Yuan Hualei , Pan Zhongben , Li Zongsheng , Pan Han , Chu Hongwei , Li Dechun 
Published: July 2024

AbstractThis study enhances the ultrafast photonics application of tin selenide (SnSe) nanoflakes via copper (Cu) functionalization to overcome challenges such as low conductivity and weak near‐infrared (NIR) absorption. Cu functionalization enhances concentration, induces strain, and reduces the bandgap through Sn substitution and Sn vacancy filling with Cu ions. Demonstrated by density functional theory calculations and experimental analyses, Cu‐functionalized SnSe exhibits improved NIR optical absorption and superior third‐order nonlinear optical properties. Z‐scan measurements and femtosecond transient absorption spectroscopy reveal better performance of Cu‐functionalized SnSe in terms of nonlinear optical properties and shorter carrier relaxation times compared to pristine SnSe. Furthermore, saturable absorbers based on both SnSe types, when integrated into an erbium‐doped fiber laser, show that Cu functionalization leads to a decrease in pulse duration to 798 fs and an increase in 3 dB spectral bandwidth to 3.44 nm. Additionally, it enables stable harmonic mode‐locking of bound‐state solitons. This work suggests a new direction for improving wide bandgap 2D materials by highlighting the enhanced nonlinear optical properties and potential of Cu‐functionalized SnSe in ultrafast photonics.
Effects of Ligand Chemistry on Ion Transport in 2D Hybrid Organic–Inorganic Perovskites
Authors: Wei Grace , Kaplan Alan B. , Zhang Hang , Loo Yueh‐Lin , Webb Michael A. 
Published: July 2024

Abstract2D hybrid organic–inorganic perovskites are potentially promising materials as passivation layers that can enhance the efficiency and stability of perovskite photovoltaics. The ability to suppress ion transport is proposed as a stabilization mechanism, yet an effective characterization of relevant modes of halide diffusion in 2D perovskites is nascent. In light of this knowledge gap, molecular dynamics simulations with enhanced sampling and experimental validation to systematically characterize how ligand chemistry in seven (R‐NH3)2PbI4 systems impacts halide diffusion, particularly in the out‐of‐plane direction is combined. It is found that increasing stiffness and length of ligands generally inhibits ion transport, while increasing ligand polarization generally enhances it. Structural and energetic analyses of the migration pathways provide quantitative explanations for these trends, which reflect aspects of the disorder of the organic layer. Overall, this mechanistic analysis greatly enhances the current understanding of halide migration in 2D hybrid organic–inorganic perovskites and yields insights that can inform the design of future passivation materials.
A Bio‐Inspired Dendritic MoOx Electrocatalyst for Efficient Electrochemical Nitrate Reduction to Ammonia
Authors: Xu Yuan‐Zi , Abbott Daniel F. , Dürr Robin N. , Huan Tran Ngoc , Mougel Victor 
Published: July 2024

AbstractDrawing inspiration from the nitrate reductase enzymes, which catalyze nitrate to nitrite in nature, here a bio‐inspired, reduced molybdenum oxide (MoOx) shell is introduced that is grown on top of a dendritic nickel foam core (NiNF). The resulting MoOx/NiNF material is prepared via a facile, two‐step electrodeposition strategy using commercially available, low‐cost precursors. This catalytic material displays a remarkable faradaic efficiency (FE) of 99% at −0.5 V versus RHE and a high ammonia (NH3) yield rate of up to 4.29 mmol h−1 cm−2 at −1.0 V versus RHE in neutral media. Most importantly, MoOx/NiNF exhibits exceptional stability for the nitrate reduction reaction (NO3RR), maintaining operation for over 3100 h at a high current density of −650 mA cm−2, with a yield rate of 2.6 mmol h−1 cm−2 and a stable average NH3 FE of ≈83%. Through combined XPS and in situ Raman spectroscopy it is shown that the pronounced affinity of MoOx/NiNF for nitrate is associated with a substantial presence of oxygen vacancies within the material.
Application of graphical analysis and principal components to identify the effect of genotype × trait in maize hybrids
Authors: Shojaei Seyed Habib , Bihamta Mohammad Reza , Mousavi Seyed Mohammad Nasir , Qasemi Seyed Hamed , Keshavarzi Mohammad Hossein Bijeh , Omrani Ali 
Published: July 2024

AbstractIn order to identify the effect of genotype × trait, 20 maize (Zea mays L.) hybrids were cultivated and investigated in a randomized complete block design in three replications in the Karaj region. The results of the analysis of variance showed that the effect of genotype in terms of all traits except for the traits of days until the tassel dries, peduncle outside the flag leaf, tassel length, the number of fill seeds, and the depth of the seeds are significantly different. Based on the mean comparison done by Duncan's method, G3, G6, G7, and G4 genotypes were identified as favorable hybrids. Based on the graphic analysis, the genotypes G5, G4, G6, G3, G9, and G14 can be identified as desirable hybrids. The correlation diagram indicated that the grain yield trait has a positive correlation with tassel length, leaf length, leaf width, and leaf surface traits. Based on the principal component analysis, the first 10 components explained more than 74% of the data variance. The traits were classified into 10 components: components of ear characteristics, time characteristics in terms of maturity, leaf characteristics, characteristics of maize plant 1 (cob corn diameter, peduncle length, and grain yield traits), characteristics of maize plant 2 (number of tassel branches, leaf surface, and grain yield traits), physiological characteristics and germination, the crown part of the ear characteristics, grain characteristics, grain yield, and characteristics of the ear head. The experiment results indicated that G8, G15, G1, and G6 hybrids were more favorable in terms of grain yield trait.
Probabilistic Discrete‐Time Models for Spreading Processes in Complex Networks: A Review
Authors: Granell Clara , Gómez Sergio , Gómez‐Gardeñes Jesús , Arenas Alex 
Published: July 2024

AbstractResearch into network dynamics of spreading processes typically employs both discrete and continuous time methodologies. Although each approach offers distinct insights, integrating them can be challenging, particularly when maintaining coherence across different time scales. This review focuses on the Microscopic Markov Chain Approach (MMCA), a probabilistic f ramework originally designed for epidemic modeling. MMCA uses discrete dynamics to compute the probabilities of individuals transitioning between epidemiological states. By treating each time step—usually a day—as a discrete event, the approach captures multiple concurrent changes within this time frame. The approach allows to estimate the likelihood of individuals or populations being in specific states, which correspond to distinct epidemiological compartments. This review synthesizes key findings from the application of this approach, providing a comprehensive overview of its utility in understanding epidemic spread.
Leveraging Ligand Steric Demand to Control Ligand Exchange and Domain Composition in Stratified Metal–Organic Frameworks
Authors: He Yiwen , De Souza Mattheus , Luo Tian‐Yi , Achar Siddarth K. , Johnson J. Karl , Rosi Nathaniel L. 
Published: July 2024

AbstractIncorporating diverse components into metal–organic frameworks (MOFs) can expand their scope of properties and applications. Stratified MOFs (sMOFs) consist of compositionally unique concentric domains (strata), offering unprecedented complexity through partitioning of structural and functional components. However, the labile nature of metal‐ligand coordination handicaps achieving compositionally distinct domains due to ligand exchange reactions occurring concurrently with secondary strata growth. To achieve complex sMOF compositions, characterizing and controlling the competing processes of new strata growth and ligand exchange are vital. This work systematically examines controlling ligand exchange in UiO‐67 sMOFs by tuning ligand sterics. We present quantitative methods for assessing and visualizing the outcomes of strata growth and ligand exchange that rely on high‐angle annular dark‐field images and elemental mapping via scanning transmission electron microscopy‐energy dispersive X‐ray spectroscopy. In addition, we leverage ligand sterics to create ‘blocking layers’ that minimize ligand exchange between strata which are particularly susceptible to ligand exchange and inter‐strata ligand mixing. Finally, we evaluate strata compositional integrity in various solvents and find that sMOFs can maintain their compositions for >12 months in some cases. Collectively, these studies and methods enhance understanding and control over ligand placement in multi‐domain MOFs, factors that underscore careful tunning of properties and function.
Direct Excitation Strategy for Deacylative Couplings of Ketones
Authors: Li Jianbin , Zhang Ding , Tan Lida , Li Chao‐Jun 
Published: July 2024

AbstractThe homolysis of chemical bonds represents one of the most fundamental reactivities of excited molecules. Historically, it has been exploited to generate radicals under ultraviolet (UV) light irradiation. However, unlike most contemporary radical‐generating mechanisms, the direct excitation to homolyze chemical bonds and produce aliphatic carbon‐centered radicals under visible light remains rare, especially in metallaphotoredox cross couplings. Herein, we present our design of the dihydropyrimidoquinolinone (DHPQ) reagents derived from ketones, which can undergo formal deacylation and homolytic C−C bond cleavage to release alkyl radicals without external photocatalysts. Spectroscopic and computational analysis reveal unique optical and structural features of DHPQs, rationalizing their faster kinetics in alkyl radical generation than a structurally similar but visible‐light transparent radical precursor. Such a capability allows DHPQ to facilitate a wide range of Ni‐metallaphotoredox cross couplings with aryl, alkynyl and acyl halides. Other catalytic and non‐catalyzed alkylative transformations of DHPQs are also feasible with various radical acceptors. We believe this work would be of broad interest, aiding the synthetic planning with simplified operation and expanding the synthetic reach of photocatalyst‐free approaches in cutting‐edge research.
Photoredox Catalytic Deracemization Enabled Enantioselective and Modular Access to Axially Chiral N‐Arylquinazolinones
Authors: Liu Yilin , Chu Mengqi , Li Xiangtao , Cao Zheng , Zhao Xiaowei , Yin Yanli , Jiang Zhiyong 
Published: July 2024

AbstractVisible light‐driven photocatalytic deracemization is highly esteemed as an ideal tool for organic synthesis due to its exceptional atom economy and synthetic efficiency. Consequently, successful instances of deracemization of allenes have been established, where the activated energy of photosensitizer should surpass that of the substrates, representing an intrinsic requirement. Accordingly, this method is not applicable for axially chiral molecules with significantly high triplet energies. In this study, we present a photoredox catalytic deracemization approach that enables the efficient synthesis of valuable yet challenging‐to‐access axially chiral 2‐azaarene‐functionalized quinazolinones. The substrate scope is extensive, allowing for both 3‐axis and unmet 1‐axis assembly through facile oxidation of diverse central chiral 2,3‐dihydroquinazolin‐4(1H)‐ones that can be easily prepared and achieve enantiomer enrichment via deracemization. Mechanistic studies reveal the importance of photosensitizer selection in attaining excellent chemoselectivity and highlight the indispensability of a chiral Brønsted acid in enabling highly enantioselective protonation to accomplish efficient deracemization.
Optimizing of heat transfer and flow characteristics within a roughened solar air heater duct with compound turbulators
Authors: Al‐Chlaihawi Kadhim , Alyas Bahjat Hassan , Abdullah Banan Najim 
Published: July 2024

AbstractThermal systems for solar air heating have been widely used in both industrial and residential contexts, and are essential for converting and recovering solar energy. Thermal performance in solar air heaters (SAHs) can be improved through the repetitive application of artificial roughness to the surfaces. This research work includes a numerical evaluation of SAH performance with artificial rough surfaces made up of combined transverse trapezoidal ribs and chamfered grooves. The ANSYS Fluent software version 2023 R1 was used to simulate SAH with varying relative roughness pitch (
), relative roughness heights (
), and Reynolds number (
). The RNG
model was chosen to forecast an enhancement in Nusselt number (
), friction factor (
), and thermohydraulic performance factor (TPF) for the proposed roughness. Out of multiple roughness parameters analyzed, it was determined that the compound turbulator with
and
, were the most effective. The TPF for this scenario was determined to be 2.12 at
. Finally, a numerical based empirical correlations for
and
in terms of Re,
, and
were developed.
Physical vapour deposition fabrication of MoO3‐based photoanode for water splitting to generate hydrogen
Authors: Junaid Muhammad , Batoo Khalid Mujasam , Ijaz Muhammad Farzik , Zazoum Bouchaib 
Published: July 2024

AbstractMoO3 thin film was fabricated on an indium tin oxide substrate using the physical vapor deposition technique. X‐ray diffraction and scanning electron microscopy study to investigate surface morphology, grain size, and surface structure, which are critical for absorbing solar spectra in water splitting for hydrogen energy generation. Ultraviolet–visible spectroscopy was used to confirm the absorption of solar spectra and the percentage of transmittance. Fourier‐transform infrared analysis provided the functional groups present in the deposited thin film. The Tauc plot was used to determine the thin‐film band gap, which allowed for the analysis of charge carrier transitions from the conduction band to the valence band. Electrochemical impedance spectroscopy investigations confirmed the charge transfer processes to the counter electrode and electrolyte interfaces. The observed low curve for MoO3 indicated low resistance and allowed efficient charge transfer. Linear sweep voltammetry analysis was used to measure photocurrent and solar light to hydrogen emission when the thin film was exposed to solar spectra. The thin film's observed hydrogen emission rate was 3731.74 mol g−1 h−1, and the STH% of MoO3 was found to be 0.345% at 0.8 V. These findings highlight the promising potential of MoO3 as a material for hydrogen energy generation using solar light.
Responsible research and innovation: An ambidexterity lens of generalized and specialized responsibilities
Authors: Mei Liang , Zhang Nana , Brem Alexander 
Published: July 2024

AbstractThe incompatibility between diverse responsible principles of science and technology (S&T) and multi‐stakeholders' heterogeneous value assessments underscores the importance of coordinating normative principles of responsible research and innovation (RRI). In this context, this study adopts an ambidexterity lens to address this issue, conceptualizing two constructs—“generalized responsibility” and “specialized responsibility” of S&T (GRST and SRST)—to illustrate the trade‐offs. It explores the antecedents of GRST and SRST from an agency perspective. Drawing from a dataset of 19,707 poll responses, the study employs a fractional logit regression model to examine the relationships between three types of agency (iterational agency, strategic agency, and ethical agency) and GRST and SRST. The results reveal a positive relationship between iterational agency and SRST, and between strategic agency and GRST, as well as U‐shaped effects of iterational agency on GRST, strategic agency on SRST, and ethical agency on both GRST and SRST. Moreover, ethical agency is found to be more important for SRST than for GRST. The study offers theoretical and policy implications for a critical discussion about responsible innovation.
Strategic choices in going public: ESG performance implications in China
Authors: Cheng Zijian , Gao He , Liu Zhangxin ( Frank) , Treepongkaruna Sirimon 
Published: July 2024

AbstractChoices in going public are important business strategies that can influence Environmental, Social and Governance (ESG) performance through varying levels of regulatory scrutiny, investor expectations, governance improvements, public attention and strategic focus. We investigate the impact of listing approach on ESG performance in China over the period of 2009 to 2022, by comparing the ESG performance of firms going public via initial public offering (IPO) versus reverse merger (RM). Consistent with our institutional, legitimacy and averse‐selection hypotheses, we find that RM firms exhibit significantly lower ESG performance compared with IPO firms, a difference we attribute to the greater performance pressure, higher litigation risk, greater financing constraints and poorer internal controls experienced by RM firms. These factors likely reduce management's willingness to invest in and improve ESG outcomes. However, as time passed, the discrepancy in ESG performance between RM firms and IPO firms gradually diminished. Additionally, the nature of state ownership and reduced competitive pressure in the industry also serve to mitigate the negative impact of RMs on firms' ESG performance. To promote sustainable development, going public via IPO offers a better business strategy, creating shared value among a broader range of stakeholders, including socially responsible investors, advocacy groups and regulators.
Ultrasonic‐Assisted Biphasic Aqueous Extraction of Polyphenols from Vaccinium Dunalianum Leaves: Optimization, Antioxidant, and Tyrosinase Inhibition Activities
Authors: Yang Yang , Han Kangjia , Liu Zhen , Xie Sida , Xu Junming , He Yuanping , Zhao Ping , Yang Xiaoqin 
Published: July 2024

AbstractTo optimize the ultrasonic‐assisted biphasic aqueous extraction conditions for polyphenolic compounds from Vaccinium dunalianum Wight leaves and investigate their antioxidant and tyrosinase inhibition activities, single‐factor experiments were conducted to investigate the effects of ethanol volume fraction (%), ammonium sulfate mass fraction (%), solid‐liquid ratio (g/mL), ultrasonic temperature (°C), and ultrasonic time (min) on polyphenolic content during extraction. Based on these experiments, three key factors influencing extraction were selected for response surface methodology (RSM) optimization. The results indicated that under conditions of 26 % ethanol, 20 % ammonium sulfate, a solid‐liquid ratio of 1 : 30, and extraction for 35 minutes at 50 °C, the polyphenol content reached 61.62 mg/g. The relative contents of 6′‐O‐caffeoylarbutin, β‐arbutin, and chlorogenic acid were 34.45 %, 4.56 %, and 31.06 %, respectively. The DPPH⋅ and ABTS+⋅ scavenging rates were above 95 % and 96 %, respectively, and the ferric reducing ability exhibited a significant dose‐effect relationship. The inhibition rates of monophenolase and diphenolase activities of tyrosinase were 43.84 % and 35.73 %, respectively. The optimized process for ultrasonic‐assisted biphasic aqueous extraction of polyphenols from Vaccinium dunalianum Wight leaves demonstrated significant antioxidant and tyrosinase inhibition activities.
pH Sensitivity of YFPs is Reduced Upon AlphaRep Binding: Proof of Concept in Vitro and in Living Cells
Authors: Bousmah Yasmina , Noiray Magali , Jalaber Hadrien , Pasquier Hélène , Béatrice Valerio‐Lepiniec Marie , Urvoas Agathe , Erard Marie 
Published: July 2024

AbstractYellow fluorescent proteins (YFPs) are commonly used in biology to track cellular processes, particularly as acceptors in experiments using the Förster Resonant Energy Transfer (FRET) phenomenon. However, their fluorescence intensity is strongly pH‐dependent, limiting their utility in acidic environments. Here, we explore the pH sensitivity of YFPs upon binding with an artificial repeat protein (αRep) both in vitro and in living cells. We show that αRep binds to Citrine, with high affinity in the nanomolar range at physiological and acidic pHs, leading to increased thermal stability of the complex. Moreover, αRep binding reduces Citrine's pKa by 0.75 pH units, leading to a decreased sensitivity to pH fluctuations. This effect can be generalized to other YFPs as Venus and EYFP in vitro. An efficient binding of αRep to Citrine has also been observed in living cells both at pH 7.4 and pH 6. This interaction leads to reduced variations of Citrine fluorescence intensity in response to pH variations in cells. Overall, the study highlights the potential of αReps as a tool to modulate the pH sensitivity of YFPs, paving the way for future exploration of biological events in acidic environments by FRET in combination with a pH‐insensitive cyan donor.
A case report and literature review: A 19‐year‐old with endometrial carcinoma treated with medroxyprogesterone acetate. Importance of the medical interview and endometrial examination
Authors: Katsuma Shinichiro , Ariyoshi Kazuya , Nio Ai , Taguchi Kenichi , Sonoda Kenzo 
Published: July 2024

Key Clinical MessageA 19‐year‐old woman had stage IA endometrial carcinoma treated with medroxyprogesterone acetate and experienced a recurrence. This patient's experience illustrates the importance of a thorough history and endometrial assessment in younger patients.
Family history of type 2 diabetes and the risk of type 2 diabetes among young and middle‐aged adults
Authors: Smith Ken R. , Meeks Huong , Curtis David , Brown Barbara B. , Kole Kyle , Kowaleski‐Jones Lori 
Published: July 2024

AbstractBackgroundThe prevalence of type 2 diabetes has been growing among younger and middle‐aged adults in the United States. A portion of this increase for this age group may be attributable to shared type 2 diabetes risks with family members. How family history of type 2 diabetes history is associated with type 2 diabetes risk among younger and middle‐aged adults is not well understood.MethodsThis population‐based retrospective cohort study uses administrative, genealogical, and electronic medical records from the Utah Population Database. The study population comprises offspring born between 1970 and 1990 and living in the four urban Utah counties in the United States between 1990 and 2015. The sample comprises 360,907 individuals without a type 2 diabetes diagnosis and 14,817 with a diagnosis. Using multivariate logistic regressions, we estimate the relative risk (RR) of type 2 diabetes associated with the number of affected first‐ (FDRs), second‐ (SDRs), and third‐degree (first cousin) relatives for the full sample and for Hispanic‐specific and sex‐specific subsets.ResultsIndividuals with 2+ FDRs with type 2 diabetes have a significant risk of type 2 diabetes in relation to those with no affected FDRs (RR = 3.31 [3.16, 3.48]). Individuals with 2+ versus no SDRs with type 2 diabetes have significant but lower risks (RR = 1.32 [1.25, 1.39]). Those with 2+ versus no affected first cousins have a similarly low risk (RR = 1.28 [1.21, 1.35]). Larger RRs are experienced by males (2+ vs. 0 FDRs, RR = 3.55) than females (2+ vs. 0 FDRs, RR = 3.18) (p < 0.05 for the interaction). These familial associations are partly mediated by the individual's own obesity.ConclusionsThe risks of type 2 diabetes are significantly associated with having affected first‐, second‐, and third‐degree relatives, especially for men. One of the forces contributing to the rising patterns of type 2 diabetes among young and middle‐aged adults is their connection to affected, often older, kin.