bluuebunny/crossref_metadata_2025_split huggingface dataset:
Promising Perspectives on the Use of Fullerenes as Efficient Containers for Beryllium Atoms
Authors: Bodrenko Igor , Satta Alessandra , Caddeo Claudia , Cozzolino Giacomo , Milenkovic Stefan , Ceccarelli Matteo , Mattoni Alessandro 
Published: July 2023

AbstractThe possibility of using fullerenes as containers for toxic beryllium atoms is studied by a multi‐scale approach in which first‐principles and classical molecular dynamics simulations are combined. By studying the energetics, electronic and spectroscopic properties of Be‐fullerene systems and by simulating their interaction at finite temperature in vacuo and in representative biological environments it is concluded that: i) Be endohedral complexes can be obtained by implanting Be atoms at energies >2.3 eV that is consistent with laser implantation technologies; ii) it is in principle possible to distinguish stable endohedral complexes from metastable exohedral ones by optical absorption, suggesting that optical spectroscopy can be a valuable a non‐destructive technique to assist the synthesis and the control of implanted films iii) the Be‐endohedral complexes are long‐lived and thermodynamically stable and can confine beryllium both in vacuo and in aqueous solution; iv) Be@C60 complexes are likely unable to penetrate the selectivity filters of a prototypical protein showing that fullerene prevents undesired interactions with biomolecules and toxicity effects of Be2+ related to replacement of the Ca2+. Overall, these results provide an assessment on the possibility to encapsulate Be atoms into fullerenes by ion implantation to synthesize inert and highly stable and safe molecular containers for toxic beryllium radionuclides. Great opportunities are expected for the realization and application of Be‐C60 complexes to nanotechnology and nanomedicine with particularly appealing perspectives in the field of neutron capture therapy of cancer.
Investigation and Band Gap Analysis of Pulsed Dc Magnetron Sputtered Diamond‐Like Carbon to Enhance Contact‐Electrification and Durability of Triboelectric Nanogenerators
Authors: Ejaz Ammara , McKinlay Michael , Ahmadzadeh Sam , Garcia Manuel Pelayo , Fleming Lewis , Mazur Piotr , Mazur Michal , Gibson Des , Garcia Nuñez Carlos 
Published: July 2023

AbstractThis work details the triboelectric characteristics of diamond‐like carbon (DLC) film where a proportioned sp3:sp2 bond ratio is engineered through a patented pulsed DC magnetron sputtering process to achieve a durable commercial energy harvesting material. A triboelectric nanogenerator (TENG) is fabricated by creating the triboelectric interface between DLC and PTFE. The presence and synchronization of σ – σ and σ – π bonds between DLC‐PFTE contact surface amplify the electronic cloud overlap between their atoms leading to an enhancement of the triboelectric surface charge density. The inherent hardness and reduced friction achieved through DLC and PTFE respectively prevent the mass transfer, and consequent power loss upon consecutive mechanical contact and achieves a stable electric power output of 141 mW m−2. The DLC durability achieved with PTFE in TENG demonstrates its significant potential as low frequency (1 – 10 Hz) energy harvesting devices and self‐/low‐power electronic devices and sensors. The paper uniquely contributes to a better understanding of the triboelectrification mechanism by insightfully detailing the band‐to‐band transition of electrons between the PTFE and DLC tribo‐interface, as well as discussing gap and frequency limitation of the tribo‐pair on the triboelectric charge yield, storage, transfer, and on the friction layer electric field.
Phase‐Coherent Optical Frequency Up‐Conversion with Millimeter‐Size Zn(3‐ptz)2 Metal‐Organic Framework Single Crystals
Authors: Hidalgo‐Rojas Diego , García‐Garfido Juan , Enríquez Javier , Rojas‐Aedo Ricardo , Wheatley Robert Alastair , Fritz Rubén A. , Singh Dinesh P. , Herrera Felipe , Seifert Birger 
Published: July 2023

AbstractMetal‐organic frameworks (MOFs) have emerged as candidate materials for nonlinear optics due to their enhanced optical and chemical stability in comparison with conventional organic crystals. However, producing large single crystals that support perfect phase matching conditions for frequency conversion is a long‐standing challenge due to the highly metastable conditions in which MOF crystals tend to self‐assemble in solution. By modulating the synthesis and growth conditions, this limitation is overcome to produce millimeter–sized Zn(3‐ptz)2 uniaxial MOF single crystals. Optimized MOF crystals with large birefringence in the visible Δn ≈ −0.3 and high transparency allow for the observation of strong second‐harmonic (SHG) and third‐harmonic generation (THG) signals for the first time, using femtosecond near‐infrared pump pulses. For conditions of type‐I SHG phase‐matching, the measured effective nonlinear coefficient of Zn(3‐ptz)2 is deff ≈ 0.10 pm V−1, the largest measured nonlinearity for MOF materials to date. The experiments quantitatively agree with first‐principles simulations based on the crystal lattice structure. The damage threshold is estimated on the order of 0.2 TW cm−2 for raw single crystals, which can be further increased with additional crystal engineering steps. The demonstration of efficient frequency up‐conversion of light with long‐range phase coherence establishes MOF single crystals as promising materials for nonlinear optical devices.
Device Simulation on GaN‐LED Operating in Noncarrier Injection Mode for Performance Improvement by Enhancing the Tunneling Effect in Multiquantum Wells
Authors: Li Wenhao , Wang Kun , Liao Yitao , Guo Jiawei , Shen Yiwei , Li Junlong , Su Hao , Zhou Xiongtu , Zhang Yongai , Yang Lan , Guo Tailiang , Wu Chaoxing 
Published: July 2023

AbstractNoncarrier injection (NCI) operation mode is an emerging driving mode for nanoscale light‐emitting diodes (LEDs) for application in nanopixel light‐emitting displays. However, the luminescence intensity of the NCI‐LED with traditional epitaxial structure is relatively low because of the absence of external carrier injection. Therefore, improving the luminescence intensity by optimizing the epitaxial structure of the LED is an important technical measure. In this work, the tunneling behavior of the NCI‐LED under reverse bias, which plays a key role in increasing the luminescence intensity, is studied through modeling and simulation. The dynamic variation of carrier concentration in each voltage cycle is studied to explore the working process of the NCI‐LED. Results show that the luminescence output of the NCI‐LED is highly sensitive to doping concentrations, and reducing the number of multiquantum wells can increase the probability of interband tunneling so as to improve dramatically the carrier number contributing to luminescence. This simulation work can deepen the understanding of the NCI mode and serve as an important guidance for the rational design of the NCI‐LEDs.
Overall Water Splitting on The NiS/NiS2 Heterostructures Featuring Self‐Equilibrium Orbital Occupancy
Authors: Xu Wenli , Zhao Rong , Li Qiqi , Sun Bing , Wu Jing , Zhong Wenda , Gao Yinhong , Nan Xu , Huang Qiang , Yang Yao , Li Xuanke , Yang Nianjun , Zhang Qin 
Published: July 2023

AbstractEfficient electrochemical overall water splitting requires bi‐functional catalysts that work for both hydrogen and oxygen evolution reactions (HER/OER). A heterostructure is thus proposed to maintain its optimal interactions with H/O‐containing intermediates. A so‐called “orbital occupancy self‐equilibrium” strategy is employed theoretically and experimentally to design such bi‐functional catalysts, namely the incorporation of the V species into a NiS/NiS2 heterostructure. Owing to the variable valences of both Ni and V species, the electrons are controllably reoriented over the interfacial V─S─Ni bond. The as‐generated dynamic and self‐equilibrium of the electron environment modify an optimal adsorption harmony toward various H/O‐containing intermediates on this heterointerface, enhancing intrinsic activity and reaction kinetics for the HER, the OER, and overall water splitting. This V‐NiS/NiS2 catalyst exhibits an overpotential of only 94 and 220 mV at a current density of 10 mV cm–2 for the HER and the OER, respectively. This proposed strategy is expected to be workable for other catalysts with variable metal valences and provide insights for an agile interfacial electron allocation on heterostructure catalysts.
Determining cardinal temperatures for eight cover crop species
Authors: Pessotto Mila V. , Roberts Trenton L. , Bertucci Matthew , Santos Caio dos , Ross Jeremy , Savin Mary 
Published: July 2023

AbstractGrowing degree days (GDD) is a tool to predict plant growth and can be adapted for use in any plant species, including cover crops. A limitation of the GDD calculation is accurate temperature parameters used to predict plant development. For most cover crop species, the cardinal temperatures are not well defined in the literature, leading to a less accurate calculation of GDD. The objective of this study was to determine the cardinal temperatures of eight cover crop species, including Austrian winter pea (Pisum sativum), balansa clover (Trifolium michelianum), barley (Hordeum vulgare), black‐seeded oats (Avena sativa), common vetch (Vicia sativa), cereal rye (Secale cereale), crimson clover (Trifolium incarnatum), and hairy vetch (Vicia villosa), using a growth chamber experiment. Seven different temperature regimes from 4 to 34°C were implemented, and the number of leaves was counted from day 0 to 21. As a result, the data were regressed to estimate the cardinal temperatures for each species. The results of this research identified base (2), optimum (3), and maximum (8) temperatures for cover crops that were not previously reported. Five cardinal temperatures determined in this study were different from what was previously recorded; base and optimum temperatures were −4.5 and 24.8°C for cereal rye, 3.9 and 26.6°C for crimson clover, and the base temperature was 3.4°C for balansa clover. The successful identification of these cardinal temperatures for cover crops will allow the development of plant growth and biomass prediction models to aid in cover crop termination decision support tools.
Grain yield stability of soybean (Glycine Max (L.) Merrill) for different stability models across diverse environments of Ethiopia
Authors: Habtegebriel Mesfin Hailemariam , Abebe Abush Tesfaye 
Published: July 2023

AbstractFor grain yield stability analysis, genotype by environment interactions are crucial in properly identifying and discriminating between varieties and locations. Hence, this experiment was conducted with the objectives to evaluate the stability of soybean using additive main effects and multiplicative interaction (AMMI), multi‐trait stability index (MTSI), weighted average absolute scores biplot (WAASB), Eberhart and Russell regression model, and genotype plus genotype by environment interaction (GGE) biplot analysis for grain yield of soybean genotypes and identified stable genotypes in the different soybean agroecologies of Ethiopia. Twenty‐four soybean genotypes were planted at six soybean environments with RCBD in three replications in the 2015/2016 cropping season. Stability measures, namely, AMMI, AMMI stability value, and GGE biplot analysis were used to identify the high‐yielding and stable genotypes across the testing environments. AMMI‐1 biplot showed Pawe as the ideal environment; Bako as a favorable environment; Asosa an average environment; and the rest namely, Dimtu, Jimma, and Metu as unfavorable environments. On the other hand, AMMI‐2 biplot analysis certain genotypes like Prichard, Spry, Delsoy 4710, and Croton 3.9 were identified as stable genotypes. Bako and Metu were identified as the most discriminating environments. Mega environments and the best yielding soybean genotypes on each mega environment were revealed by the GGE biplot analysis model. For other multivariate statistics used for this study, MTSI, WAASB, and regression models, stable and superior varieties for grain yield were revealed. Through the MTSI, the four genotypes, namely, Liu yue mang, SCS‐1, Clarck‐63k, and AFGAT, were found to be stable and superior over the rest tested genotypes. Overall, the genotypes SCS‐1 and AGS‐7‐1 were stable across soybean growing environments and are recommended for mega environment production.
Amino acids foliar spraying palliate the negative effects of low irrigation on greenhouse sweet Cayenne pepper
Authors: Salmani Davood , Rezaei Mehdi 
Published: July 2023

AbstractSweet Cayenne pepper is a nutrient‐dense, sweet‐tasting greenhouse vegetable that often faces water stress in dry areas, and optimizing growth with minimum water consumption is crucial. In this study, we investigated the impacts of amino acids (AAs) foliar application on reducing water stress losses in sweet Cayenne pepper cv. “Lombard” under greenhouse conditions. The pepper bushes were irrigated in 3‐day and 6‐day intervals and simultaneously sprayed with an AA fertilizer (0, 150, and 300 mg/L). Vegetative growth, reproductive traits, and yield parameters were measured. Results showed significant decreases in the plant height, the roots length, SPAD, leaf greenness index, and the pepper leaves turn yellow under brief drought stress. The number of flowers was reduced by up to 50%, and the 3‐month yield decreased significantly from 7 to 5.05 kg/m2. However, with AAs foliar application, vegetative growth, fruit number, and yield increased significantly. The highest yield, 2.93 kg/plant, was observed in 300 mg/L AAs, while the minimum yield, with an average of 1.83 kg/plant recorded under water stress treatment without AAs application. The spray of AAs fertilizer remarkably improves the yield and quality of pepper fruit and reverses the destructive effects of low irrigation. The future direction could focus on the mechanism of the positive impact of AA foliar application on growth, yield, and quality of the fruit, particularly in water stress conditions, to further optimize growth and minimize water consumption.
Incidence and factors associated with newly implemented do‐not‐attempt‐resuscitation orders among deteriorating patients after rapid response system activation: A retrospective observational study using a Japanese multicenter database
Authors: Tsuji Tatsuya , Sento Yoshiki , Nakanishi Toshiyuki , Tamura Tetsuya , Kako Eisuke , Sato Izumi , Kawakami Koji , Kawasaki Tatsuya , Naito Takaki , Fujitani Shigeki , Sobue Kazuya 
Published: July 2023

AbstractAimThe rapid response system (RRS) was initially aimed to improve patient outcomes. Recently, some studies have implicated that RRS might facilitate do‐not‐attempt‐resuscitation (DNAR) orders among patients, their families, and healthcare providers. This study aimed to examine the incidence and factors independently associated with DNAR orders newly implemented after RRS activation among deteriorating patients.MethodsThis observational study assessed patients who required RRS activation between 2012 and 2021 in Japan. We investigated patients’ characteristics and the incidence of new DNAR orders after RRS activation. Furthermore, we used multivariable hierarchical logistic regression models to explore independent predictors of new DNAR orders.ResultsWe identified 7904 patients (median age, 72 years; 59% male) who required RRS activation at 29 facilities. Of the 7066 patients without pre‐existing DNAR orders before RRS activation, 394 (5.6%) had new DNAR orders. Multivariable hierarchical logistic regression analyses revealed that new DNAR orders were associated with age category (adjusted odds ratio [aOR], 1.56; 95% confidence interval, 1.12–2.17 [65–74 years old reference to 20–64 years old], aOR, 2.56; 1.92–3.42 [75–89 years old], and aOR, 6.58; 4.17–10.4 [90 years old]), malignancy (aOR, 1.82; 1.42–2.32), postoperative status (aOR, 0.45; 0.30–0.71), and National Early Warning Score 2 (aOR, 1.07; 1.02–1.12 [per 1 score]).ConclusionThe incidence of new DNAR orders was one in 18 patients after RRS activation. The factors associated with new DNAR orders were age, malignancy, postoperative status, and National Early Warning Score 2.
The development of a framework for the selection of optimal sites for the location of municipal solid waste to value‐added facilities through the integration of a geographical information system and a fuzzy analytic hierarchy process
Authors: Islam Mohammad Shafiqul , Sebastian Roshni Mary , Kurian Vinoj , Billal Md Mashum , Kumar Amit 
Published: July 2023

AbstractThis study develops a framework for quantification of the available municipal solid waste (MSW), defines the geographical point source locations for the MSW feedstock, and determines optimal locations for potential waste‐to‐value‐added (W2VA) facility sites. The framework developed here is applied to Canada. To determine optimal sites for W2VA facilities, a three‐stage decision‐making model comprising exclusion analysis, preference analysis, and network analysis was developed. The fuzzy analytic hierarchy process (FAHP) and geographic information systems (GIS) were used in an integrated decision‐making network to prioritize the preference factors and facility locations; with these, a land suitability map (LSM) was developed and suitable candidate sites for W2VA facilities were obtained for Canada. The identified candidate sites were then used in a network analysis to select optimal sites with minimal travel distances. This study was used to determine 10 and 15 optimal sites for W2VA facilities in Western Canada and Eastern Canada, respectively. This study prioritized optimal sites based on the minimization of transportation distances. The highest priority site in Western Canada is Site 1, located in Lethbridge County, Alberta. It is connected with 74 TSs and can receive 2.42 million tonnes of MSW. The highest priority site in Eastern Canada is Site 11, which is located in West Nipissing, Ontario, and is connected with 42 transport stations (TSs) and can receive 1 million tonnes of MSW. The adaptability of the applied decision‐making model, competency of the developed LSM, and flexibility of the network analysis provide a competent supporting tool for authorities to identify optimal locations for W2VA facilities.
Prenatal immobility stress: Relationship with oxidative stress, inflammation, apoptosis, and intrauterine growth restriction in rats
Authors: Kaya Sinem Albayrak , Okuyan Hamza Malik , Erboğa Zeynep Fidanol , Güzel Savaş , Yılmaz Ahsen , Karaboğa İhsan 
Published: July 2023

AbstractBackgroundPrenatal stress is a significant risk factor affecting pregnant women and fetal health. In the present study, we aimed to investigate the effect of immobility stress at different periods of pregnancy on oxidative stress, inflammation, placental apoptosis and intrauterine growth retardation in rats.MethodsFifty adult virgin female Wistar albino rats were used. Pregnant rats were exposed to 6 h/day immobilization stress in a wire cage at different stages of pregnancy. Groups I and II (Day 1–10 stress group) were sacrificed on the 10th day of pregnancy, and Group III, Group IV (10–19th‐day stress group), and Group V (1–19th‐day stress group) were sacrificed on the 19th day of pregnancy. Inflammatory cytokines, including interleukin‐6 (IL‐6) and interleukin‐10 (IL‐10), serum corticotropin‐releasing hormone (CRH), and corticosterone levels were measured by enzyme‐linked immunosorbent assay. Malondialdehyde (MDA), superoxide dismutase (SOD), and catalase (CAT) levels in the placenta were spectrophotometrically measured. Histopathological analyses of the placenta were evaluated by hematoxylin and eosin staining. Tumor necrosis factor‐alpha (TNF‐α) and caspase‐3 immunoreactivity in placenta tissues were determined by the indirect immunohistochemical method. Placental apoptosis was determined by the TUNEL staining method.ResultsWe found that the immobility stress during pregnancy significantly increased serum corticosterone levels. Our results showed that the immobility stress diminished the number and weight of fetuses in rats compared to the non‐stress group. The immobility stress caused significant histopathological changes in the connection zone and labyrinth zone and increased placental TNF‐α and caspase‐3 immunoreactivity and placental apoptosis. In addition, immobility stress significantly increased the levels of pro‐inflammatory IL‐6 and MDA and caused a significant decrease in the levels of antioxidant enzymes such as SOD, CAT, and anti‐inflammatory IL‐10.ConclusionsOur data suggest that immobility stress causes intrauterine growth retardation by activating the hypothalamic‐pituitary‐adrenal axis and deteriorating placental histomorphology and deregulating inflammatory and oxidative processes.
The effect of different decontamination processes on the residues of fipronil and its metabolites in chili fruits (Capsicum annuum L.)
Authors: Dudwal Ramgopal , Jakhar Bhanwar Lal , Pathan Abdul Rashid Khan , Kataria Alka , Jan Ishrat , Kakralya Bajrang Lal , Dhaka Shish Ram , Hussain Akhter , Bana Jugal Kishor , Babu S. Ramesh , Yadav Amit Kumar , Rashied Fehmida 
Published: July 2023

AbstractFipronil is a broad‐spectrum phenyl pyrazole insecticide that has a high degree of environmental toxicity. Commonly available chilies in the market are treated with fipronil insecticides. Demand for insecticide‐free chili has thus been increasing globally. This needs various sustainable and economical methods to remove insecticides from chilies. The present study examined the effectiveness of several cleaning methods to remove pesticide residues in chili fruits. A supervised field trial was conducted in randomized block design at Rajasthan Agricultural Research Institute, Durgapura, Jaipur, India. Chili samples were subjected to seven different household methods. The samples were extracted using the quick, easy, cheap, effective, rugged, and safe (QuEChERS) method. The residues were analyzed using a gas chromatograph–electron capture detector and confirmed by GC–MS. Of the seven methods, the acetic acid treatment removes the maximum residue effect of fipronil and its metabolites (desulfinyl [MB046513]), sulfide (MB045950), and sulfone (MB046136) on chili fruits. By contrast, the tap water treatment was the least effective. The Food Safety and Standards Authority of India (FSSAI) have set the maximum residue limit value of 0.001 mg kg−1 for fipronil on green chili.