bluuebunny/crossref_metadata_2025_split huggingface dataset:
Corn 15N uptake and partitioning in response to fertilizer application rate and timing
Authors: Spackman Jared A. , Fernández Fabián G. , Paiao Gabriel D. , Venterea Rodney T. , Coulter Jeffrey A. 
Published: May 2024

AbstractNitrogen (N) fertilizer applications near the time of planting are important for upper US Midwest corn (Zea mays L.) production, but wet springs may result in significant N losses. Split applications may circumvent this problem and improve fertilizer uptake and use efficiency, but the relative contribution of N from the soil and fertilizer is poorly understood. A field study with six sites in Minnesota received 15N‐labeled urea fertilizer in the first year and unlabeled urea in the second year to determine the effect of N rate and application timing on corn uptake and accumulation patterns of fertilizer‐derived N (FDN) and soil‐derived N (SDN) over two consecutive growing seasons. Corn responded positively to fertilization. The percentage of total N uptake as FDN was greatest closest to the time of application but decreased over time as SDN became the dominant N source. A split application (45 kg N ha−1 at planting, 90 kg N ha−1 at V4) significantly improved FDN uptake over the 135 kg N ha−1 preplant treatment but did not improve total N uptake in the first year at any site. Fertilizer‐N use efficiency (F15NUE) using the isotopic method was 2.8%–43.3% across all sites at the end of the first year with the majority partitioned to the grain. At the end of the second year, approximately 2.2% of the first‐year applied FDN was recovered in aboveground biomass. Fertilization ensures adequate N availability to the developing crop, but ultimately SDN contributed ≥61% of the total N uptake.
Pea growth, yield, and quality affected by nitrogen fertilization to previous crop in small grain–pea rotations
Authors: Sainju Upendra M. , Pradhan Gautam P. 
Published: May 2024

AbstractStarter N fertilization at low rates may enhance pea (Pisum sativum L.) performance, but little information exists about the effect of N fertilization rate to previous crop (NRPC) on pea growth, yield, and quality in small grain–pea rotations. We examined the effect of N fertilization rates to barley (Hordeum vulgare L.) and spring wheat (Triticum aestivum L.) on succeeding pea growth, yield, and quality in barley–pea and spring wheat–pea rotations from 2006 to 2019 in the semiarid environment of US northern Great Plains. We measured pea plant density, straw and grain yields, harvest index, straw N concentration, grain protein concentration, grain test weight, straw and grain N uptake, and N harvest index. In the barley–pea rotation, pea grain yield increased with increased NRPC. Grain test weight was greater without than with NRPC in 2008 and 2009. In the spring wheat–pea rotation, straw yield was greater for 50 than 0 kg N ha−1 of NRPC in 2014, 2018, and 2019. Grain yield and N uptake were greater with than without NRPC in 2014, 2015, and 2019, but grain test weight varied with NRPC and year. Plant density, harvest index, straw N concentration, grain protein concentration, straw N uptake, and N harvest index varied with year in both barley–pea and spring wheat–pea rotations. Nitrogen fertilization to barley or spring wheat can enhance succeeding pea grain yield and N uptake during years with normal growing season precipitation in barley–pea and spring–wheat pea rotations in the semiarid region of the US northern Great Plains.
How and why do species break a developmental trade‐off? Elucidating the association of trichomes and stomata across species
Authors: Baird Alec S. , Medeiros Camila D. , Caringella Marissa A. , Bowers Julia , Hii Michelle , Liang John , Matsuda Joshua , Pisipati Kirthana , Pohl Caroline , Simon Benjamin , Tagaryan Silvard , Buckley Thomas N. , Sack Lawren 
Published: May 2024

AbstractPremisePrevious studies have suggested a trade‐off between trichome density (Dt) and stomatal density (Ds) due to shared cell precursors. We clarified how, when, and why this developmental trade‐off may be overcome across species.MethodsWe derived equations to determine the developmental basis for Dt and Ds in trichome and stomatal indices (it and is) and the sizes of epidermal pavement cells (e), trichome bases (t), and stomata (s) and quantified the importance of these determinants of Dt and Ds for 78 California species. We compiled 17 previous studies of Dt–Ds relationships to determine the commonness of Dt–Ds associations. We modeled the consequences of different Dt–Ds associations for plant carbon balance.ResultsOur analyses showed that higher Dt was determined by higher it and lower e, and higher Ds by higher is and lower e. Across California species, positive Dt–Ds coordination arose due to it–is coordination and impacts of the variation in e. A Dt–Ds trade‐off was found in only 30% of studies. Heuristic modeling showed that species sets would have the highest carbon balance with a positive or negative relationship or decoupling of Dt and Ds, depending on environmental conditions.ConclusionsShared precursor cells of trichomes and stomata do not limit higher numbers of both cell types or drive a general Dt–Ds trade‐off across species. This developmental flexibility across diverse species enables different Dt–Ds associations according to environmental pressures. Developmental trait analysis can clarify how contrasting trait associations would arise within and across species.
Manganese‐Catalyzed α‐Alkylation of Sulfones using Alcohols via a Hydrogen‐Borrowing Strategy: Synthesis of Branched Sulfones
Authors: Verma Ashutosh , Elias Anil J. 
Published: May 2024

AbstractHerein, we report an efficient and sustainable manganese‐catalyzed α‐C−H bond alkylation methodology to synthesize branched sulfones via a hydrogen borrowing pathway. The air‐stable and phosphine‐free Mn‐catalyst, (NNN)Mn(II)Cl2 was synthesized by using an earth‐abundant, commercially available, and inexpensive precursor MnCl2.4H2O, and a stable NNN pincer i. e. [N‐((benzimidazole‐2‐yl)methyl)quinoline‐8‐amine] ligand system. Taking benzyl phenyl sulfones as substrates, and benzyl alcohol derivatives as alkylating agents, a range of branched sulfones were synthesized in 40–82 % isolated yields using (NNN)Mn(II)Cl2 complex as the catalyst under open‐air conditions. Control experiments and deuterium incorporation studies have also been conducted to investigate the possible reaction mechanism and to provide evidence for the hydrogen borrowing pathway.
Cyclic Azahelicene Dimers Showing Bright Circularly Polarized Luminescence and Selective Fluoride Recognition
Authors: Maeda Chihiro , Yasutomo Issa , Ema Tadashi 
Published: May 2024

AbstractAlthough helicenes are promising molecules, the synthetic difficulty and tediousness have often been problems, and only small amounts of optically pure helicenes have been obtained by using chiral HPLC in most cases. Herein, aza[7]helicenes or closed‐aza[7]helicenes with (1R)‐menthyl substituents were selectively synthesized via the intramolecular Scholl reaction, and the diastereomeric pairs were separated by silica gel column chromatography. The optically pure helicenes were further transformed into the corresponding cyclic dimers, and the chiroptical properties were investigated. The rigid π‐frameworks of the dimers led to the high molar extinction coefficients and fluorescence quantum yields, while the twisted helicene moieties induced clear Cotton effects and CPL in the visible region, and the high CPL brightness (BCPL) was achieved. Furthermore, the cyclic dimers were found to have the macrocyclic cavity with the two NH groups suitable for the selective binding of a fluoride anion, which induced significantly redshifted fluorescence and CPL in the red region.
Characterization of curing status of commercial tire compounds with vein graphite powder and its particle sizes—Experimental and computational study
Authors: Abeygunawardane Gayan Aravinda , Weragoda Sampath , Senevirathne Nadun , Liyanage Eranga 
Published: May 2024

AbstractThe use of solid tires in demanding industrial applications, subjected to substantial mechanical loads, poses significant challenges due to heat generation from hysteresis and tread friction. Managing this heat is crucial to mitigate the risk of tire blowouts and layer separation. This research investigates the impact of introducing vein graphite powder, varying in particle size, into a commercially used solid tire compound, both experimentally and computationally. The research findings presented in this paper reveal substantial changes in thermal conductivity, specific heat capacity, rate constant, induction time, and the order of reaction in solid tires. Contemporary industry trends involve predictive methods for monitoring the curing process in tire manufacturing. A tire curing simulation model based on finite (FE) element analysis is developed. FE modeling is favored due to its accuracy and adaptability, especially when dealing with the intricate geometry and multi‐layered, multi‐compound structure of tires. The complex interplay between heat transfer and curing processes is effectively addressed using user subroutines (UMATHT) in commercial FE software like ABAQUS. In this analysis, thermal conductivity, heat capacity, order of reaction, rate constant, and induction time of the commercial tire compound are considered as temperature‐dependent variables. The computational model not only demonstrates its potential to significantly enhance the efficiency and quality of tire manufacturing processes but also contributes to a deeper understanding of the curing behavior of graphite powder‐based solid tire compounds. Consequently, it provides a valuable tool for optimizing tire manufacturing procedures and ensuring the safe and reliable performance of solid tires under demanding operational conditions. This research bridges the gap between the traditional commercial tire compound and the use of vein graphite powder in tire manufacturing and advanced computational methods, facilitating improvements in tire quality and safety.
Mechanism of Jinteng Qingbi granules in the treatment of rheumatoid arthritis using metabolomics analysis
Authors: Tang Jinyang , Wang Zongli , Zhou Caiyun , Wang Xin , Ma Fang , Pan Zheng , Han Shuhua , Li Bin , Du Liyan , Cheng Guoliang , Fang Dingya 
Published: May 2024

AbstractThis study investigated the differential metabolites after rheumatoid arthritis (RA) rats were treated with Jinteng Qingbi granules. Collagen‐induced arthritis rats were divided into three groups, namely normal group, model group, and Jinteng Qingbi granules group. Serum compounds were identified, annotated, and classified using metabolomics to explain the physicochemical properties and biological functions. The metabolites were screened using univariate and multivariate statistical analyses. There were differences in serum metabolites between RA and normal rats; Jinteng Qingbi granules improved RA and recovered the metabolite levels to normal. Compared to the normal group, 51 differential ions were screened, and 108 ions were changed in the Jinteng Qingbi granules group compared to the RA model. Eight metabolites were upregulated in the RA model group compared to the normal group, whereas 10 metabolites were downregulated. Treatment with Jinteng Qingbi granules increased the levels of 12 metabolites such as cinnamate and decreased the levels of 16 metabolites such as allamandin in the RA model. Differential ion enrichment was mainly related to the histidine metabolic pathway in amino acid metabolism. Jinteng Qingbi granules resulted in improvements in the RA model, which were mainly associated with lipids and lipid‐like molecules, organic acids, and derivatives, providing a new possibility and basis for screening biomarkers for the diagnosis and treatment of RA.
Synthesis and Characterizations of MoS2 Nanoflowers and Spectroscopic Study of their Interaction with Bovine Serum Albumin
Authors: Ma Yongshan , Guan Qingxiang , Cui Jingcheng , Jiang Tianyi , Zhu Yanyan , Zhang Fengxia , Ma Guangxiang 
Published: May 2024

AbstractMolybdenum disulfide nanoflowers (MoS2 NFs) were prepared by hydrothermal method. The prepared MoS2 NFs was characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X‐ray diffraction (XRD), specific surface areas, Raman and X‐ray photoelectron spectroscopy (XPS). The characterization results show that the flower‐like spherical MoS2 is composed of many ultra‐thin nanosheets with an average diameter of about 300–400 nm. MoS2 NFs also exhibits excellent UV–vis absorption and high fluorescence intensity. In order to explore the biological behavior of MoS2 NFs, the interaction between MoS2 NFs and bovine serum albumin (BSA) was studied by UV–Vis absorption, fluorescence, synchronous fluorescence spectra, and cyclic voltammetry. The results of absorption and fluorescence show that MoS2 NFs and BSA interact strongly through the formation of complexes in the ground state, and the static quenching is the main mechanism. The Stern–Volmer constant and the quenching constant was calculated about 3.79×107 L mol−1 and 3.79×1015 L mol−1 s−1, respectively. The synchronous fluorescence implied that MoS2 in the complex may mainly bind to tryptophan residues of BSA. The cyclic voltammograms indicated that the addition of BSA makes electron reduction of MoS2 NFs more difficult than the corresponding free state. The results show that hydrophobic forces play a major role in the binding interaction between BSA and MoS2 NFs.
A novel mutation in ANOS1 in a Chinese family with Kallmann syndrome: Case report
Authors: Jiang Rong , Qiu Xueting , Han Xingfa , Ma Zhimin 
Published: May 2024

Key Clinical MessageWe reported a novel variant in Kallmann syndrome. It not only determines the clinical importance of whole exome sequencing for identification of genetic pathogenic variants, but also enriches the ANOS1 genetic spectrum of CHH patients in Chinese population.
Influence of Nitrogen Content in Food Waste on Biogas Production
Authors: Karne Hemlata U. , Bhatkhande Dhananjay 
Published: May 2024

AbstractHigh carbon content and high‐level biodegradability are major constraints of the anaerobic digestion of food waste. In the present study, anaerobic digestion of model food waste was carried out in a fed batch digester. Nitrogen content in model food waste was adjusted by the addition of ammonium chloride at the desired C/N ratio. Biogas production at ammonium chloride percentages of 0, 0.8, 1.5, 2.14, and 3.2 % (weight basis) were carried out under mesophilic conditions in a pilot plant scale floating drum digester. At an ammonium chloride percentage of 1.5 % that balances C/N ratio 25, highest biogas production of 0.42 m3 kg−1 of VS was attained while biogas production from food waste without ammonium chloride of 0.06 m3 kg−1 of VS was obtained. The highest methane yield of 0.323 m3 kg−1 of VS was found at ammonium chloride of 1.5 % while methane yield of 0.042 m3 kg−1 of VS was achieved from food waste without ammonium chloride. The highest percent increase CH4 yield of 669 % was obtained at an ammonium chloride percentage of 1.5 %. Biogas productivity obtained at ammonium chloride percentage of 1.5 % was 0.6 L L−1 d−1. Hence, the optimum ammonium chloride percentage obtained was 1.5 % which balances the C/N ratio at 25.
Dimerization of Fe(III) Ion in an Aqueous Medium: Mechanistic Modelling and Effects of Ligands
Authors: De Sharmistha , Das Bidisa 
Published: May 2024

AbstractAqueous iron solutions generally undergo spontaneous hydrolysis followed by aggregation resulting in the precipitation of nanocrystalline oxyhydroxide minerals. The mechanism of nucleation of such multinuclear oxyhydroxide clusters are unclear due to limited experimental evidence. Here, we investigate the mechanistic pathway of dimerization of Fe(III) ions using density functional theory (DFT) in aqueous medium considering effects of other ligands. Two hydrolyzed monomeric Fe(III) ions in aqueous medium may react to form two closely related binuclear products, the μ‐oxo and the dihydroxo Fe2 dimer. Our studies indicate that the water molecules in the second coordination sphere and those co‐ordinated to the Fe(III) ion, both participate in the dimerization process. The proposed mechanism effectively explains the formation of dihydroxo and μ‐oxo Fe2 dimers with interconversion possibilities, for the first time. Results show, with only water molecules present in the second co‐ordination sphere, dihydroxo Fe2 dimer is the thermodynamically and kinetically favored product with a low activation free energy. We calculated the step‐wise reaction free energies of dimerization in the presence of nitrate ions in the first and second coordination sphere of Fe(III) ion separately, which shows that with nitrate ions in the second co‐ordination sphere, the μ‐oxo Fe2 dimer is the kinetically favored product.
An Eutectic Mixture in the Tetrabutylammonium Bromide‐Octanol System: Macroscopic and Microscopic Points of View
Authors: Di Muzio Simone , Trequattrini Francesco , Palumbo Oriele , Roy Pascale , Brubach Jean‐Blaise , Paolone Annalisa 
Published: May 2024

AbstractAn eutectic mixture of tetrabutylammonium bromide and octanol in the molar ratio 1–10 exhibited a melting point of −17 °C. This system was investigated by means of infrared spectroscopy, in the liquid and in the solid state. Classical molecular dynamics was performed to study the fine details of the hydrogen bond interactions established in the mixture. Both octanol and the mixtures displayed an almost featureless far‐infrared spectrum in the liquid state but it becomes highly structured in the solid phase. DFT calculations suggest that new vibrational modes appearing in the mixture at low temperatures may be related to the population of the higher energy conformers of the alcohol. Mid‐infrared spectroscopy measurements evidenced no shift of the CH stretching bands in the mixture compared to the starting materials, while the OH stretching are blue shifted by a few cm−1. Consistently, molecular dynamics provides a picture of the mixture in which part of the hydrogen bonds (HB) of pure octanol is replaced by weaker HB formed with the Br anion. Due to these interactions the ionic couple becomes more separated. In agreement with this model, the lengths of all HB are much larger than those observed in mixtures containing acids reported in previous studies.
Explicit Modelling of Spectral Bandshapes by a Mixed Quantum‐Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene
Authors: Cerezo Javier , Gierschner Johannes , Santoro Fabrizio , Prampolini Giacomo 
Published: May 2024

AbstractThe absorption and emission spectral shapes of a flexible organic probe, the distyrylbenzene (DSB) dye, are simulated accounting for the effect of different environments of increasing complexity, ranging from a homogeneous, low‐molecular‐ weight solvent, to a long‐chain alkane, and, eventually, a channel‐forming organic matrix. Each embedding is treated explicitly, adopting a mixed quantum‐classical approach, the Adiabatic Molecular Dynamics – generalized vertical Hessian (Ad‐MD|gVH) model, which allows a direct simulation of the environment‐induced constraining effects on the vibronic spectral shapes. In such a theoretical framework, the stiff modes of the dye are described at a quantum level within the harmonic approximation, including Duschinsky mixing effects, while flexible degrees of freedom of the solute (e. g. torsions) and those of the solvent are treated classically by means of molecular dynamics sampling. Such a setup is shown to reproduce the distinct effects exerted by the different environments in varied thermodynamic conditions. Besides allowing for a first‐principles rationale on the supramolecular mechanism leading to the experimental spectral features, this result represents the first successful application of the Ad‐MD|gVH method to complex embeddings and supports its potential application to other heterogeneous environments, such as for instance, pigment‐protein complexes or organic dyes adsorbed into metal‐organic frameworks.
White Light Emissive Eu(III) Complexes through Ligand Engineering and their Applications in Cool Near Ultraviolet White Light Emitting Diodes and Thermometer
Authors: Maredi Swetha , Mund Sibani , Nayak Sandhya Rani , Devineni Samatha , Subrahmanyam C. , Vaidyanathan Sivakumar 
Published: May 2024

AbstractIn pursuit of enhancing white light quality for solid‐state lighting (SSL) applications, an attempt has been made to design novel imidazo−bipyridyl ligands as an ancillary ligand to obtain multiple emissions (mimic sunlight) in the Eu‐complex. By strategically modifying the phenanthroline core with imidazo−bipyridyl incorporation with 1 or 2‐Napthyl groups at the C1 position, the excitation spectral line is successfully shifted from Ultraviolet (UV) to near UV/visible spectrum (where the LED emission occurs). The ligands showed greenish blue emission in solid and solution. Density Functional Theory (DFT) calculations were utilized to understand the energy transfer processes from ligand to Eu ion in the Eu complexes. The analysis revealed that the energy transfer is incomplete, primarily attributed to the proximity of triplet state energy levels to the resonance level of Eu(III) ions as reflected in solvatochromism. These complexes exhibit a unique dual emissive behavior (emitting multi‐color) including white light across various solvents. These complexes hold great promise as single‐component white light‐emissive materials, with potential applications in white light‐emitting diodes (WLED). The fabricated white LED showed an excellent color rendering index (CRI ~93 %). Beyond lighting, this distinctive property opens avenues for temperature sensing ([Eu(DBM)31‐Naph] shows the highest sensitivity of Sr=10.97 %, and [Eu(DBM)32‐Naph] shows the highest sensitivity of Sr=5.5 % at 333 K) and vapoluminescent (acid‐base on‐off‐on luminescence) studies. This research pioneers the development of these complexes as potential single‐component materials for superior white LEDs, underlining their multifaceted utility in cutting‐edge lighting and sensing technologies.
A Ratiometric Green Fluorescent Carbazole‐Bis(hydrazinobenzothiazole) Probe for the Selective Detection of Toxic Hg2+ Ions in Real Water Samples
Authors: Leslee Denzil Britto Christopher , Karuppannan Sekar 
Published: May 2024

AbstractA dyad Carbazolyl‐bis(hydrazinobenzothiazole) was designed to form a symmetrical structure that containing two‐arm active binding sites facilitates coordination with Hg2+ ion. This sensor has imparted a colorimetric and fluorometric changes in presence of Hg2+ ions. The ligand showed a selective blue shift in presence of Hg2+even in co‐existence with heavy metal ions with luminescence change from colorless to blue and colorless to green under day light. Enhanced Intramolecular charge transfer process is responsible for fluorescence transformation when ligand interacts with Hg2+ ion. The emission spectra showed a ratiometric response to increasing addition of Hg2+ ions. The sensor is capable of detecting above the lower concentration of 6.8025×10−8 M. The fluorescence efficiency of CBT‐2 with Hg2+ ion is quite stable under different co‐metal ions and wide range of pH 6 to 9. The sensor CBT‐2 forms a 1 : 1 stoichiometric complex with Hg2+ ions and the binding nature is confirmed from the 1H‐NMR, FTIR, and mass spectroscopic studies. The sensor CBT‐2 and its Hg2+ complex possess good binding nature to protein in Bovine Serum Albumin which could be good in biological applications. Additionally, wedevelop a practical application in real water sample analysis and electrochemical detection via oxidation potential discrimination.