bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hypervalent Iodine‐Mediated Regioselective Dearomatization of Non‐Activated Arenes
Authors: Wang Yang , Yin Ji‐Chen , Zhang Yu‐Wei , Zhang Yuzhe , Shi Feng 
Published: September 2024

AbstractThe dearomatizations of non‐activated arenes, particularly those under mild reaction conditions, are highly desired transformations in organic synthesis due to their power in converting flat aromatic rings into three‐dimensional frameworks. Although hypervalent iodine (HVI)‐mediated dearomatization of phenol derivatives has developed rapidly, HVI‐mediated dearomatization of non‐activated arenes remains an urgent and challenging task. To fulfil this task, in this work, we established an HVI‐mediated oxidative dearomatization of non‐activated arenes by using biphenylureas and N‐ or O‐nucleophiles as reactants. This electrophilic dearomatization (DEAr) process is highly regioselective, which enabled different N‐ and O‐nucleophiles to react at the distal C4‐position of the phenyl ring, thus generating dearomative spiro‐products in a single step under mild conditions with wide substrate scope (43 examples, 22%–76% yield). This approach not only provides a successful example for dearomatization of non‐activated arenes under mild reaction conditions, but also has overcome the challenges in HVI‐mediated dearomatization of non‐activated arenes, which will enrich the chemistry of dearomatization.
Device Simulation of 25.9% Efficient ZnOxNy${\rm ZnO}_x{\rm N}_y$/Si Tandem Solar Cell
Authors: Bergsbak Ingvild , Nordseth Ørnulf , Saxegaard Kjetil K. , Olsen Vegard S. , von Wenckstern Holger , Bergum Kristin 
Published: September 2024

AbstractThe novel, high electron mobility material has been investigated theoretically as an absorber in a two‐terminal tandem solar cell. In addition to its high mobility, can attain sufficiently low carrier concentration to enable ‐junctions, and has a tunable bandgap around the 1.7 eV range. It is therefore suitable for pairing with a Si‐based bottom cell. In addition to the layer, the tandem cell consists of a emitter and a Si heterojunction bottom cell. A buffer layer is introduced between the emitter and absorber in the top cell to mediate a large valence band offset that resulted in a poor fill factor, . A buffer layer bandgap of 1.5 eV gave the highest power conversion efficiency (PCE). The objective is to estimate the optimal performance of in a tandem solar cell. The dependence of current–voltage (–) characteristics on thickness, mobility and carrier concentration in the layer is evaluated, and found to yield maximum performance with 0.35 , 250 Vs–1 and , respectively. Using these conditions, the – parameters of the device under AM1.5 illumination are short circuit current density, mA , open circuit voltage, V, and . With this, it is reported on, to the best of the knowledge, the first device simulation based on .
A Detailed First‐Principles Study of the Structural, Elastic, Thermomechanical, and Optoelectronic Properties of Binary Rare‐Earth Tritelluride NdTe3
Authors: Chowdhury Tanbin , Rano B. Rahman , Syed Ishtiaque M. , Naqib S. H. 
Published: September 2024

AbstractRare‐earth tritellurides (RTe3) are popular for their charge density wave (CDW) phase, magnetotransport properties, and pressure‐induced superconducting state among other features. In this literature, Density functional theory is exploited to study various properties of NdTe3. The calculated elastic and thermomechanical parameters, which are hitherto untouched for any RTe3, uncover soft, ductile, highly machinable, and damage‐tolerant characteristics, as well as highly anisotropic mechanical behavior of this layered compound. Its thermomechanical properties make it a prospective thermal barrier coating material. Band structure, density of states, Fermi surfaces, and various optical functions of the material are reported. The band structure demonstrates highly directional metallic nature. The highly dispersive bands indicate very low effective charge carrier mass for the in‐plane directions. The Fermi surfaces display symmetric pockets, including signs of nesting, bilayer splitting among others, corroborating previous works. The optical spectra expose high reflectivity across the visible region, while absorption is high in the ultraviolet region. Two plasma frequencies are noticed in the optical loss function. The optical conductivity, reflectivity, and absorption reaffirm its metallic properties. The electronic band structure manifests evidence of CDW phase in the ground state.
Signal Components and Impedance Spectroscopy of Potential p‐Si/n‐CdS/ALD‐ZnO Solar Cells: EIS and SCAPS‐1D Treatments
Authors: Sharma Atish Kumar , Srivastava Ankita , Jha Prakash Kumar , Sangani Keyur , Chourasia Nitesh K. , Chourasia Ritesh Kumar 
Published: September 2024

AbstractA silicon heterojunction (SHJ) solar cell with the attractive and widely used atomic layer deposited (ALD)‐ZnO/n‐CdS/p‐Si configuration is examined in this work to learn more about its electrical properties. Using EIS and SCAPS‐1D, a comprehensive model of the device is created and then simulated. Theoretical aspects of the cell are examined through the use of similar electrical circuit models, focusing on the transmittance spectrum made possible by the ALD‐ZnO layer's low reflectance and high visible transmittance. In this study, the C–V tool is used to study the trap states in the silicon absorber layer under different lighting conditions and wavelengths. The doping concentration and built‐in potential are determined using the Mott–Schottky technique. In addition, the cell's properties are investigated by measuring its G–V, G–F, C–T, and C–F in different real‐world scenarios. As a means of visualizing the electrochemical impedance data, Nyquist plots—sometimes called Cole–Cole plots—are utilized. By utilizing absolute impedance and phase shifts, Bode plots are employed to examine the system's frequency response. Last, the results of the SHJ cell's spectral response measurements are given, which confirm the results of the Nyquist plots.
Optical Conductivity and Photo‐Induced Polaronic Formation in Co2MnGa Topological Semimetal
Authors: Tomarchio Luca , Macis Salvatore , Mou Sen , Mosesso Lorenzo , Markou Anastasios , Lesne Edouard , Felser Claudia , Lupi Stefano 
Published: September 2024

AbstractTopological materials occupy an important place in the quantum materials family due to their peculiar low‐energy electrodynamics, hosting emergent magneto‐electrical, and nonlinear optical responses. This manuscript reports on the optical responses for the magnetic topological nodal semimetal Co2MnGa, studied in a thin film geometry at various thicknesses. The thickness‐dependent optical conductivity is investigated, observing a substantial dependence of the electronic band structure on thickness. Additionally, details on the ultrafast response of the low energy excitations in the terahertz frequency are reported by employing optical pump‐terahertz probe (OPTP) spectroscopy. In particular, the photocarrier dynamics of Co2MnGa thin films is studied at varying pump fluence, pump wavelength, and film thickness, observing a negative THz photoconductivity which is assigned to a dynamical formation of large polarons in the material.
A Sulfide‐Based Solid Electrolyte With High Humid Air Tolerance for Long Lifespan All‐Solid‐State Sodium Batteries
Authors: Guo Yayu , Liu Kai , Li Cheng , Song Dawei , Zhang Hongzhou , Wang Zhenyu , Yan Yufen , Zhang Lianqi , Dai Sheng 
Published: September 2024

AbstractSulfide‐based superionic conductors present great promise to achieve high energy density and safety for all‐solid‐state sodium batteries (ASSSBs). However, the poor electrolyte/electrode interface compatibility and humid air stability seriously hinder their deployment in ASSSBs. Herein, a series of high‐performance Na3‐□Sb1‐4x(SnWCaTi)xS4 sulfide‐based solid electrolytes (SSEs) are reported by coupling the vacancy effect with configurational entropy, which displays an excellent interface stability against sodium metal and an extraordinary tolerance toward the moist atmosphere, even for water. The optimized electrolyte effectively inhibits the detrimental mixed ion‐electron conducting interphase formation, achieving the ultra‐stable operation of Na–Na symmetric cell up to 1000 h. Furthermore, the Na+ diffusion kinetics is obviously enhanced by increasing the Na sites local anisotropy and Na vacancies. Eventually, the assembled TiS2//Na5Sn ASSSBs deliver a remarkable reversible capacity of 211.6 mAh g−1 at 0.5C with a long‐term cycling performance of 450 cycles at room temperature. More importantly, it achieves a steady running up to 100 cycles at 1C even if this electrolyte is placed in the air with a dew temperature of 13.8 °C for 30 min, the highest values in the state‐of‐the‐art sulfide‐based ASSSBs. The well‐designed SSEs open a new avenue for realizing the advanced and powerful ASSSBs.
Aggregation‐based dual‐target probe for dual‐colour super‐resolution monitoring mitophagy and evaluating drugs regulating mitochondria
Authors: Yang Xiu‐Zhi , Fang Hongbao , Li Shumeng , Chu Chengyan , Zhang Yunhua , Yang Ying , He Weijiang , Chen Yuncong , Guo Zijian 
Published: September 2024

AbstractDeveloping single fluorescent probe for simultaneously visualizing mitophagy flux and oxidative stress with super‐resolution is highly demanded yet quite challenging. Herein, a ratiometric HClO probe AHOH is designed and synthesized which is capable of simultaneously staining lysosomes and mitochondria with red and green colour, respectively. AHOH could be selectivity oxidized by HClO, leading to a large emission blue shift (90 nm) and an over 1300‐fold enhancement of the emission ratio of Fl547nm/Fl637nm. We apply AHOH in super‐resolution microscopy and clearly visualize the dynamics of mitochondria–lysosomes interactions and the oxidative stress states upon different stimuli. Mitochondria dysfunction triggered by different drugs and genetic defect lead to elevated oxidative stress and higher levels of mitophagy. Moreover, AHOH could serve as a reliable tool for evaluating the efficacy of drugs regulating mitochondria dysfunction. This work provides a powerful dual‐colour super‐resolution imaging agent for real‐time monitoring the dynamics of organelle interactions and oxidative stress.
Secular Changes in Growth in the Maya Village of Yalcoba: 1986–2023
Authors: Azcorra Hugo , Salazar‐Rendón Juan Carlos , Aelion C. Marjorie , Leatherman Thomas 
Published: September 2024

ABSTRACTObjectiveTo analyze the changes in children's height, weight, BMI and rates of stunting and overweight and obesity over three periods: 1986–1987, 1996–1998, and 2023 for the community of Yalcoba in the Yucatan Peninsula.Material and MethodsFour hundred forty (6‐to‐15 years) children measured in 2023 were compared with data obtained in 1986–1987 (n = 675) and 1996–1998 (n = 628). Z‐scores of height and BMI were calculated to estimate percentages of stunting and high BMI‐for‐age (overweight and obesity). Comparisons of anthropometric parameters by sex and age groups between years of measurement were performed through one way ANOVAs.ResultsDifferences in anthropometric parameters were significant in all age groups of both sexes. Boys measured in 2023 were, on average, 6.4 and 3.3 cm taller than boys measured in the 1980s and 1990s, respectively. Increases in girls were 12 and 7.3 cm, respectively. Average increases in weight of boys measured in 2023 were 7.9 kg compared to the 1980s and 5.8 kg compared to 1990s. Average increases in girls measured in 2023 were 11.3 kg compared to the 1980s, and 7.6 kg compared to the 1990s. Stunting between the 1980s and 1990s decreased by 15 percentage points and between the 1990s and 2023 decreased by 47 percentage points. The percent of children deemed overweight/obese during these periods increased from 8 to 12–50 by 2023.ConclusionResults reflect the overall trends seen in the Yucatan where stunting has decreased substantially but the numbers of overweight/obese youths have increased dramatically in the past 30 years.
Variation in Craniodental Pathologies Among Cercopithecoid Primates
Authors: Kirchhoff Claire A. , Cooke Siobhán B. , Gomez Jessica C. , Rex Mitchell D. , Stein Tyler , Terhune Claire E. 
Published: September 2024

ABSTRACTPathologies of the skull and teeth are well documented for many human populations, but there are fewer studies of other primates. We contrast lesion prevalence and patterning among cercopithecoid primates and map variation onto socioecological variables. We compare craniodental lesions in six species: Nasalis larvatus (n = 54), Colobus polykomos (n = 64), Cercopithecus mitis (n = 65), Macaca fascicularis (n = 109), Theropithecus gelada (n = 13), and Papio anubis (n = 76). One of us (C.A.K.) evaluated each adult skull for multiple lesion types using standard criteria. We also tested for a relationship between lesion prevalence and cranial suture fusion (age proxy). We used nonparametric tests for sex and species differences as well as pathology co‐occurrence in SPSS. Socioecological data come from previous studies. Sex differences in lesion prevalence were only detected in P. anubis. Within taxa, some lesion types co‐occurred. In Macaca, the presence of caries was associated with several other lesion types. Pulp cavity exposure co‐occurred with TMJ osteoarthritis in multiple taxa. Among taxa, male P. anubis had higher lesion prevalences, particularly related to the anterior dentition and facial trauma. Because we did not detect a relationship between suture fusion and lesion prevalence, we propose that craniodental lesions may also be influenced by socioecological variables such as group composition and ratio of fruit to leaves in the diet. Our findings suggest that pain from pulp cavity exposure and related dental infections may alter chewing biomechanics and contribute to onset of TMJ osteoarthritis in nonhuman primates, as seen in humans. Further, we suggest that higher lesion prevalence in male baboons is likely related to male–male competition. Skeletal lesion analysis provides useful insight into primate socioecology, particularly for rare or difficult‐to‐observe phenomena, and provides additional biological context for our own species.
Lanthanide‐Like Contraction Enables the Fabrication of High‐Purity Selenium Films for Efficient Indoor Photovoltaics
Authors: Lu Wenbo , Li Zongbao , Feng Mingjie , Wei Jinchao , Wen Xin , An Xiaoyan , Wei Zhouqing , Lin Yuan , Hu Jin‐Song , Xue Ding‐Jiang 
Published: September 2024

AbstractThe lanthanide contraction involves a reduction in atomic radius among f‐block elements below the expected level. A similar contraction is observed in group‐16 elements. The atomic radius of Se (117 pm) is slightly larger than that of S (104 pm) arising from the presence of d electrons, compared to the significant increase in atomic radius from O (73 pm) to S. This lanthanide‐like contraction contributes to Se's robust oxidative resistance. Here we report a selective oxidation strategy utilizing Se's strong antioxidative property to remove coexisting narrow‐band gap Te impurities from Se feedstocks. This strategy selectively oxidizes volatile Te impurities into involatile TeO2 that remains in the evaporation source, while only volatile Se deposits onto the substrate during the thermal‐evaporation deposition process. This enables the fabrication of high‐purity Se films possessing a wide band gap of 1.88 eV, ideally suited to the optimal band gap for indoor photovoltaics (IPVs). The resulting Se photovoltaics exhibit an efficiency of 20.1 % under 1000‐lux indoor illumination, outperforming market‐dominant amorphous silicon and all types of lead‐free perovskite IPVs. Unencapsulated Se devices show no efficiency degradation after 20,000 hours of storage in ambient atmosphere.
Diastereoselective and Enantioselective Hydrophosphinylations of Conjugated Enynes, Allenes and Dienes via Synergistic Pd/Co Catalysis
Authors: Tang Ming‐Qiao , Yang Zi‐Jiang , Han Ai‐Jun , He Zhi‐Tao 
Published: September 2024

AbstractDifferent from the reported work focusing on the construction of single P‐ or C‐stereocenter via hydrophosphinylation of unsaturated carbon bonds, the highly diastereo‐ and enantioselective hydrophosphinylation reaction of allenes, conjugated enynes and 1,3‐dienes is achieved via a designed Pd/Co dual catalysis and newly modified masked phosphinylating reagent. A series of allyl motifs bearing both a tertiary C‐ and P‐stereocenter are prepared in generally good yields, >20 : 1 dr, >20 : 1 rr and 99 % ee. The unprecedented diastereo‐ and enantioselective hydrophosphinylation of 1,3‐enynes is established to generate skeletons containing both a P‐stereocenter and a nonadjacent chiral axis. The first stereodivergent hydrophosphinylation reaction is also developed to achieve all four P‐containing stereoisomers. The present protocol features the use of only 3‐minutes reaction time and 0.1 % catalyst, and with the observation of up to 730 TON. A set of mechanistic studies reveal the necessity and roles of two metal catalysts and corroborate the designed synergistic process.
Cyclic Acetals as Expanding Monomers to Reduce Shrinkage
Authors: Ricke Alexander , Berk Oskar , Koch Thomas , Liska Robert , Baudis Stefan 
Published: September 2024

AbstractPolarity‐reversal catalysts (PRCs) for hydrogen‐atom transfer reactions have been known in radical chemistry for more than 60 years but are rarely described and utilized in the field of photopolymerization up to now. Herein, we present the use of thiols in a unique dual function as thiol‐ene click reagents and as polarity‐reversal catalyst (PRC) for the radical‐mediated redox rearrangements of benzylidene acetals. During the rearrangement reaction, cyclic benzylidene acetals are transformed into benzoate esters leading to a significant volumetric expansion to reduce thermoset shrinkage. We were able to show that this expansion on a molecular level reduces shrinkage and polymerization stress but does not significantly affect the (thermo−)mechanical properties of the cross‐linked networks. One of the key advantages of this process lies in its simplicity. No additives like sensitizers or combinations of different initiators (radical and cationic) are needed. Furthermore, the same light source can be used for both the polymerization reaction and expansion through rearrangement. Additionally, the applied photoinitiator enables spatial and temporal control of the polymerization; thus, the developed system can be an excellent platform for additive manufacturing processes.
Preparation and characterization of cardanol based vinyl ester resins as cross‐linker units
Authors: Kinaci Emre , La Scala John J. , Can Erde , Palmese Giuseppe R. 
Published: September 2024

AbstractIn this study, two cardanol based epoxidized resins, NC514 with less than two epoxies per molecule and side chain epoxidized cardanol glycidyl ether (SCECGE) with approximately 2.45 epoxies (1.0 phenolic+1.45 aliphatic epoxies) per molecule were methacrylated. The methacrylated versions of cardanol based NC514 (NC514VE) and SCECGE (SCECGEVE) epoxy resins were used as cross‐linker units in vinyl ester formulations with methacrylated lauric acid (MFA) and styrene (ST) as bio‐based and synthetic based reactive diluents respectively, at various concentrations (10–40 wt%). The curing reactions of the resins were studied via FTIR and the extent of polymerization was determined for different cross‐linker units in the presence of ST and MFA. Our mechanical and thermomechanical characterizations showed that VER formulations prepared with cardanol based SCECGEVE cross‐linker unit have significantly improved properties than the samples prepared with commercially available counterpart NC514VE using either reactive diluent. These properties of SCECGEVE were also comparable with to that of methacrylated petroleum‐based diglycidyl ether of bisphenol A vinyl ester (DGEBAVE) formulations unlike NC514VE formulations due to more effective side chain functionalization and cross‐linking.
Functionalization of poly(butylene adipate‐co‐terephthalate) and its compatibilizing effect on PBAT/thermoplastic starch blends
Authors: Zhang Guangxiang , Yang Ke , Zheng Songqi , Han Xiangyan , Hu Yuexin , Han Yuanyuan , Zhao Guiyan , Feng Yulin 
Published: September 2024

AbstractPoly(butylene adipate‐co‐butylene terephthalate) (PBAT)/thermoplastic starch (TPS) blends were prepared by melt blending. However, the processability and practical application of PBAT/TPS blends are limited by their poor compatibility. To enhance the compatibility between PBAT and TPS, PBAT was functionalized by maleic anhydride (MA) to prepare PBAT‐MA, and then it was employed as a compatibilizer for PBAT/PBAT‐MA/TPS blends. The effects of PBAT‐MA on the tensile properties, rheological properties, morphology, and dynamic mechanics of PBAT/PBAT‐MA/TPS blends were studied in detail. Rheological results revealed that the interaction between PBAT‐MA and TPS enhanced the segment entanglement ability and improved the compatibility of the blends, which enhanced the tensile properties of the blends. Compared with the PBAT/PBAT‐MA/TPS (50/0/50) blend, the tensile strength of the PBAT/PBAT‐MA/TPS (40/10/50) blend increased from 9.2 to 15.8 MPa, and the elongation at break increased from 326.9% to 1017.6%. The dynamic mechanical results showed that the Tg of PBAT and TPS were close to each other after the addition of PBAT‐MA, which confirmed that the compatibility of the blend was improved. This study provides a feasible approach to preparing high‐performance and cost‐effective PBAT/PBAT‐MA/TPS blends while expanding the application prospects of PBAT in the packaging industry and agricultural film.
Effect of Alkyl Chain Length on Room‐Temperature Phosphorescent Probes for Mitochondria‐Targeted Imaging
Authors: Cheng Jianshuo , Liu Qingsong , Li Zhongyu , Zhu Liangliang 
Published: September 2024

AbstractRoom temperature phosphorescent (RTP) probes have significant advantages in the field of cellular imaging, as their long lifetimes can prevent interference from the spontaneous fluorescence of organisms. Persulfurated arenes are a typical RTP molecular parent nucleus. However, most of the applied research on them is concentrated in anti‐counterfeiting, and relatively few are applied in bioimaging. The molecular structure and structure‐property relationship of them applied in bioimaging are still in the exploration stage. In this work, we have designed and synthesized a series of RTP probes with long alkyl chains, all of which can be targeted to mitochondria with good water solubility for mitochondria‐targeted imaging. Further, we investigated the effect of alkyl chains on the luminescence properties of these probes, and found that the moderate length of alkyl chains can realize the enhancement of phosphorescence intensity. We believe this finding is of guiding significance for the design of molecular structures in the field of RTP probes.