bluuebunny/crossref_metadata_2025_split huggingface dataset:
Giant Shift Photovoltaic Current in Group V‐V Binary Nanosheets
Authors: Kaner Ngeywo Tolbert , Wei Yadong , Ying Tao , Xu Xiaodong , Li Weiqi , Raza Ali , Li Xingji , Yang Jianqun , Jiang YongYuan , Tian Wei Quan 
Published: January 2022

AbstractThe bulk photovoltaic effect shift current (SC), a constant photocurrent generated by irradiating polar homogeneous non‐centrosymmetric materials has lately emerged as a possible option for next‐generation photovoltaic systems that may potentially overcome the Shockley–Queisser limits. The current work predicts gigantic and anisotropic SC with multiple peaks across a wide range of frequencies in pristine 2D monolayer α‐AsP and α‐NP based on first‐principle calculations. The dominant SC tensors components hosted by 2D monolayer α‐AsP and α‐NP are the in‐plane, and reaches peaks of −154 µАV−2, and 87 µАV−2, respectively, in the UV region. The SC magnitudes of the α‐AsP are not significantly affected by the spin‐orbital coupling, while in α‐NP, no such effect occurs. This study recommends new photovoltaic materials with strong SC peaks spread across the electromagnetic spectrum, largely within the UV region.
In Situ Construction of Efficient Interface Layer with Lithiophilic Nanoseeds toward Dendrite‐Free and Low N/P Ratio Li Metal Batteries
Authors: Luo Lingli , Xia Shuixin , Zhang Xun , Yang Junhe , Zheng Shiyou 
Published: January 2022

AbstractLi metal is considered as one of the most promising candidates for constructing advanced high‐energy energy storage due to its ultrahigh theoretical capacity and lowest electrochemical potential. However, its practical commercialization is seriously hindered by the challenges of Li dendrite growth, low Coulombic efficiency, and huge volumetric variation. Herein, an efficient in situ generated Li2S‐rich interface layer joint with preplanted Sb nano active sites in hosted Li metal anode is easily achieved with the nanosized Sb2S3 decorated carbonaceous network. The yielded CC@Sb2S3@Li anode demonstrates uniform Li deposition, high Coulombic efficiency, and alleviated volumetric variation. Therefore, the Li symmetric cells show ultralong lifespan stable cycling over 3200 cycles with a very low voltage hysteresis (≈18 mV) at 5 mA cm−2. Impressively, the Li|LiFePO4 full cell delivers an exceptionally prolonged cycling over 180 cycles with a superior capacity retention as high as ≈90% even under the harsh condition of an extremely low negative to positive capacity ratio of ≈0.44 with lean electrolyte (4.4 µL mAh−1). Moreover, the Li|LiNi0.5Co0.2Mn0.3O2 full cell also maintains an excellent cycling performance under the more realistic harsh conditions. This work provides a new avenue and significant step paving the Li metal toward the practical application.
Organic nitrogen fertilizer sources for field production of flue‐cured tobacco (Nicotiana tabacum L.)
Authors: Kulesza Stephanie B. , Manning Nicholas J. , Vann Matthew C. , Suchoff David H. , Woodley Alexander L. , McGinnis Michelle M. 
Published: January 2022

AbstractDespite rapid expansion of organic tobacco (Nicotiana tabacum L.) production in the US, limited research has been conducted comparing the numerous organic fertilizer sources. Organic flue‐cured tobacco traditionally relies on feather meal as the organic N fertility source, as it is readily available, but there is limited information on alternative organic N fertilizers. The objective of this research was to investigate seven different organic fertilizer sources to determine their effect on the growth and development of flue‐cured tobacco. From 2018 to 2019, field sites were established at four locations in North Carolina. Fertilizer treatments included sodium nitrate, composted layer manure, feather meal, corn gluten, soy protein, blood meal, and seabird guano. Both years, these organic N treatments were banded at sidedress (10 d after transplanting) at a rate of 78 kg total N ha−1. Sodium nitrate resulted in higher foliar nitrate‐N concentration than composted layer manure at layby and higher cured leaf yield compared with feather meal and composted layer manure. However, soy protein and seabird guano were often similar to sodium nitrate in yield response and resulted in higher yields when compared with other sources of organic N, such as feather meal and composted layer manure. While feather meal and composted layer manure resulted in a 10 and 11% reduction in yield, respectively, there was no significant difference in tobacco value among treatments. Our results suggest that organic tobacco farmers have other options for N selection beyond the current feather meal standard.
Biomass yield and quality of the Miscanthus × giganteus in northern China
Authors: Wang Ye , Wang Hongbin , Li Runzhi , Fan Xifeng , Peng Zhen , Wu Juying , Duan Liusheng 
Published: January 2022

AbstractMiscanthus × giganteus has attracted much attention and occupied a significant niche as a bioenergy crop to meet the world's energy demand and in the fight against climate change. In this study, a field experiment was conducted to evaluate the yield and biomass characteristics of M. × giganteus over a period of three years from 2013 to 2015 in Beijing, China. M. × giganteus plants showed higher tiller density and litter leaf weight in the third year, whereas no significant difference in plant height was observed among the years. In contrast, a larger number of nodes per plant were recorded in the first year. Biomass yield potential was the highest in the third year (42.3 t ha−1). In addition, plant height (r = .594, p = .042), tiller density (r = .854, p < .01), and number of nodes per plant (r = ‐.589, p = .044) were significantly correlated with biomass yield. Contents of cellulose and lignin were higher in stems, while that of hemicellulose and ash were higher in leaves. M. × giganteus biomass may be used for cellulosic ethanol conversion due to high cellulose and hemicellulose contents and low lignin content and for direct combustion and co‐combustion due to high calorific value (18.5 MJ kg−1). To conclude, our findings indicate that M. × giganteus can be cultivated in northern China as an excellent herbaceous bioenergy crop. Rational utilization of the agronomic characteristics would be helpful to screening and breeding bioenergy grass for promoting bioenergy production in China.
Particle‐resolved turbulent flow in a packed bed: RANS, LES, and DNS simulations
Authors: Ambekar Aniket S. , Schwarzmeier Christoph , Rüde Ulrich , Buwa Vivek V. 
Published: January 2022

AbstractPacked bed reactors are widely used to perform solid‐catalyzed gas‐phase reactions and local turbulence is known to influence heat and mass transfer characteristics. We have investigated turbulence characteristics in a packed bed of 113 spherical particles by performing particle‐resolved Reynolds‐averaged Navier–Stokes (RANS) simulations, Large Eddy Simulation (LES), and Direct Numerical Simulation (DNS). The predictions of the RANS and LES simulations are validated with the lattice Boltzmann method (LBM)–based DNS at particle Reynolds number (Rep) of 600. The RANS and LES simulations can predict the velocity, strain rate, and vorticity with a reasonable accuracy. Due to the dominance of enhanced wall‐function treatment, the turbulence characteristics predicted by the ε‐based models are found to be in a good agreement with the DNS. The ω‐based models under‐predicted the turbulence quantities by several orders of magnitude due to their inadequacy in handling strongly wall‐dominated flows at low Rep. Using the DNS performed at different Rep, we also show that the onset of turbulence occurs between .
Computer‐aided process intensification of natural gas to methanol process
Authors: Monjur Mohammed Sadaf , Hasan M. M. Faruque 
Published: January 2022

AbstractThe recent revolution in shale gas has presented opportunities for distributed manufacturing of key commodity chemicals, such as methanol, from methane. However, the conventional methane‐to‐methanol process is energy intensive which negatively affects the profitability and sustainability. We report an intensified process configuration that is both economically attractive and environmentally sustainable. This flowsheet is systematically discovered using the building block‐based representation and optimization methodology. The new process configuration utilizes membrane‐assisted reactive separations and can have as much as 190% higher total annual profit compared to a conventional configuration. Additionally, it has 57% less CO2‐equivalent greenhouse gas emission. Such drastic improvement highlights the advantages of building block‐based computer‐aided process intensification method.
Data‐driven approximation of thermodynamic phase equilibria
Authors: Iftakher Ashfaq , Aras Chinmay M. , Monjur Mohammed Sadaf , Hasan M. M. Faruque 
Published: January 2022

AbstractWe present a new data‐driven approach for both accurate and computationally efficient approximation of vapor liquid equilibria (VLE) models. Our method is able to provide guaranteed enclosure to limit the approximation errors over the entire domain of interest, all just by sampling only at select points. The approximation relies on a mixed‐integer linear programming (MILP) formulation that exploits vertex polyhedral properties of theoretically guaranteed lower and upper bounds to enclose nonlinear and nonconvex equations of state (EOS) and empirical models. Another advantage is that, unlike traditional full simulation‐based data‐driven approaches, we do not solve nonlinear system of equations (f(x) = 0) for sampling. Instead of looking for only feasible samples, we evaluate f(x) over x‐domain. This functional evaluation eliminates the need for computationally‐demanding full‐scale simulations and the associated convergence issues. We demonstrate excellent performance of the proposed MILP formulation in predicting the solubility of hydrofluorocarbon (HFC) refrigerants in ionic liquids (IL).
Changes in female function and autonomous selfing across floral lifespan interact to drive variation in the cost of selfing
Authors: Spigler Rachel B. , Maguiña Rossana 
Published: January 2022

AbstractPremiseMorphological and developmental changes as flowers age can impact patterns of mating. At the same time, direct or indirect costs of floral longevity can alter their fitness outcomes. This influence has been less appreciated, particularly with respect to the timing of selfing. We investigated changes in stigma events, autonomous selfing, outcross seed set capacity, and autofertility—a measure representing the potential for reproductive assurance—across floral lifespan in the mixed‐mating biennialSabatia angularis.MethodsWe examined stigma morphology and receptivity, autonomous self‐pollen deposition, and seed number and size under autonomous self‐pollination and hand outcross‐pollination for flowers of different ages, from 1 d of female phase until 14 d. We compared autonomous seed production to maximal outcross seed production at each flower age to calculate an index of autofertility.ResultsThe stigmatic lobes begin to untwist 1 d post anthesis. They progressively open, sextend, coil, and increase in receptivity, peaking or saturating at 8–11 d, depending on the measure. Autonomous seed production can occur early, but on average remains low until 6 d, when it doubles. In contrast, outcross seed number and size start out high, then decline precipitously. Consequently, autofertility increases steeply across floral lifespan.ConclusionsChanges in stigma morphology and receptivity, timing of autonomous self‐pollen deposition, and floral senescence can interact to influence the relative benefit of autonomous selfing across floral lifespan. Our work highlights the interplay between evolution of floral longevity and the mating system, with implications for the maintenance of mixed mating inS. angularis.
An algorithm for sellar reconstruction following endoscopic transsphenoidal surgery for pituitary adenoma: A review of 582 cases
Authors: Chaskes Mark B. , Barton Blair , Karsy Michael , Chitguppi Chandala , McKnight Tory , McCambridge Joshua , Flanders Adam , Toskala Elina , Rabinowitz Mindy R. , Nyquist Gurston G. , Farrell Christopher , Rosen Marc R. , Evans James J. 
Published: January 2022

AbstractBackgroundSeveral sellar reconstruction algorithms stratify patients based on risk of postoperative cerebrospinal fluid (CSF) leak. Many proposed algorithms employ techniques that are overly complex and confer morbidity. We review our experience with sellar reconstruction following transsphenoidal pituitary surgery and propose a highly effective, yet simple and low morbidity, algorithm.MethodsA retrospective review of 582 patients who underwent transsphenoidal surgery for pituitary adenoma by a single neurosurgeon between 2005 and 2020 was performed. Patients without an intraoperative CSF leak and without a patulous diaphragm were repaired with an oxidized cellulose onlay (group 1). Patients with a low‐flow intraoperative CSF leak or a patulous diaphragm were repaired with a synthetic dural substitute inlay (group 2). Patients with a persistent leak around the inlay repair or a high‐flow leak were reconstructed with a synthetic dural substitute inlay and a nasoseptal flap onlay (group 3).ResultsThere was an overall leak rate of 1.5% (9/582) to 1.0% (2/197) in group 1, 1.7% (6/347) in group 2, and 2.6% (1/38) in group 3. Group 3 had the highest rate of postoperative morbidity, including sinusitis (23.7% vs. 8.6% and 15.0% in groups 1 and 2, p = 0.018) and crusting (42.1% vs. 4.6% and 6.3% in groups 1 and 2, p < 0.001). All techniques healed equally well radiographically.ConclusionThe proposed algorithm for sellar reconstruction is highly effective and minimizes complexity and morbidity, primarily utilizing single‐layer reconstructions without the addition of packing material or lumbar drainage.
Structure‐based discovery of small molecules improving stability of human broadly‐neutralizing anti‐HIV antibody 2F5 in plant suspension cells
Authors: Mandal Manoj K. , Kronenberger Thales , Zulka Marie I. , Windshügel Björn , Schiermeyer Andreas 
Published: January 2022

AbstractThe production of biopharmaceuticals in engineered plant‐based systems is a promising technology that has proven its suitability for the production of various recombinant glyco–proteins that are currently undergoing clinical trials. However, compared to mammalian cell lines, the productivity of plant‐based systems still requires further improvement. A major obstacle is the proteolytic degradation of recombinant target proteins by endogenous plant proteases mainly from the subtilisin family of serine proteases. In the present study, the authors screened for putative small molecule inhibitors for subtilases that are secreted from tobacco BY‐2 suspension cells using an in silico approach. The effectiveness of the substances identified in this screen was subsequently tested in degradation assays using the human broadly‐neutralizing anti‐HIV monoclonal antibody 2F5 (mAb2F5) and spent BY‐2 culture medium as a model system. Among 16 putative inhibitors identified by in silico studies, three naphthalene sulfonic acid derivatives showed inhibitory activity in in vitro degradation assays and are similar to or even more effective than phenylmethylsulfonyl fluoride (PMSF), a classical inhibitor of serine proteases, which served as positive control.
Cutting‐edge LC–MS/MS applications in clinical mass spectrometry: Focusing on analysis of drugs and metabolites
Authors: Maekawa Masamitsu , Mano Nariyasu 
Published: January 2022

AbstractIn recent years, liquid chromatography with tandem mass spectrometry (LC–MS/MS) has become a fundamental technology in clinical practice. In Japan, the LC–MS/MS system is used in many large hospitals. It has become popular among pharmacists and laboratory technicians. LC–MS/MS has some advantages in terms of accuracy, speed, and comprehensiveness compared to conventional automated chemical testing equipment. However, LC–MS/MS is by no means a universal method, and it is necessary to understand its characteristics before using it. In the field of therapeutic drug monitoring (TDM), there is an issue with linearity in comprehensive measurement; however, ion‐abundance adjustment methods, such as in‐source collision‐induced dissociation, have been proposed as a solution to this problem. The development of a biomarker analysis includes search, identification, and quantification, and it is necessary to select an appropriate mass spectrometric method for each step. In this paper, we review cutting‐edge technologies that can expand the performance of LC–MS/MS in the clinical field and consider current issues and future prospects.
Estimating longitudinal depressive symptoms from smartphone data in a transdiagnostic cohort
Authors: Pellegrini Amelia M. , Huang Emily J. , Staples Patrick C. , Hart Kamber L. , Lorme Jeanette M. , Brown Hannah E. , Perlis Roy H. , Onnela Jukka‐Pekka J. 
Published: January 2022

AbstractBackgroundPassive measures collected using smartphones have been suggested to represent efficient proxies for depression severity, but the performance of such measures across diagnoses has not been studied.MethodsWe enrolled a cohort of 45 individuals (11 with major depressive disorder, 11 with bipolar disorder, 11 with schizophrenia or schizoaffective disorder, and 12 individuals with no axis I psychiatric disorder). During the 8‐week study period, participants were evaluated with a rater‐administered Montgomery–Åsberg Depression Rating Scale (MADRS) biweekly, completed self‐report PHQ‐8 measures weekly on their smartphone, and consented to collection of smartphone‐based GPS and accelerometer data in order to learn about their behaviors. We utilized linear mixed models to predict depression severity on the basis of phone‐based PHQ‐8 and passive measures.ResultsAmong the 45 individuals, 38 (84%) completed the 8‐week study. The average root‐mean‐squared error (RMSE) in predicting the MADRS score (scale 0–60) was 4.72 using passive data alone, 4.27 using self‐report measures alone, and 4.30 using both.ConclusionsWhile passive measures did not improve MADRS score prediction in our cross‐disorder study, they may capture behavioral phenotypes that cannot be measured objectively, granularly, or over long‐term via self‐report.
What is the glamor of black‐and‐white? The effect of color design on evaluations of luxury brand ads
Authors: Wang Yu , Wang Tao , Mu Wenlong , Sun Yifan 
Published: January 2022

AbstractVisual esthetic stimuli are believed to be an important factor in increasing luxury brands attitudes. However, less attention has been given by existing research to how the presence or absence of color (i.e., color vs. black‐and‐white) influences consumers' perceptions of products and evaluations toward luxury ads. Drawing on the perspective of esthetic meaning and the theory of psychological distance, this study provides key evidence for addressing this gap. Three studies have found that black‐and‐white (BW) (vs. color) is associated with the luxuriousness of products and evaluations of luxury brand ads. Specifically, Study 1 shows that BW (vs. color) design can enhance consumers' evaluations of luxury brand ads by enhancing the perceived luxuriousness of products. In addition, Study 2 indicates that ad appeal plays a moderating role in the link between color design (BW vs. color) and ad evaluations such that the effect of BW designs (vs. color design) will be higher for consumers when ads focus on hedonic (vs. utilitarian) appeals. Study 3 further shows that BW is more effective for luxury brand ads than both iconic and noniconic colors. In sum, our results extend the existing literature and provide valuable management strategies for luxury brand marketing management in visual esthetic design.
Spontaneous Propionibacterium Acnes abscess with intraventricular rupture in an immunocompetent adult without prior neurosurgical intervention
Authors: Smith Jordan L. , Cruz‐Gordillo Peter , Luiselli Gabrielle , Daci Rrita , Owusu‐Adjei Brittany , Ogagan Charles , Moses Ziev B. 
Published: January 2022

AbstractPreviously viewed as a culture contaminant, Propionibacterium Acnes can cause infection following neurosurgical intervention. Its role in brain abscess in the immunocompetent, surgically naïve population has been infrequently reported. Herein, we describe an immunocompetent 55‐year‐old man with no risk factors found to have a thalamic abscess with intraventricular rupture.
The Catalytic Performance of Ga2O3−CeO2 Composite Oxides over Reverse Water Gas Shift Reaction
Authors: Dai Hui , Zhang Anhang , Xiong Siqi , Xiao Xin , Zhou Changjian , Pan Yi 
Published: January 2022

AbstractThe conversion of CO2 into other C1 raw materials is considered to be the best way to solve the greenhouse effect and energy crisis. Reverse water gas shift (RWGS) reaction is the best way to obtain high value‐added product raw material syngas and its reactor can be realized in any heavy carbon industry. Here, a series of Ga2O3−CeO2 composite oxide catalysts with different ratios of Ga2O3 and CeO2 were developed by gel sol‐gel method. Compared with pure Ga2O3, CeO2, the composite oxides catalysts have smaller grains and exhibit excellent selectivity of CO in RWGS reaction. It was found that Ga2O3 has different reaction intermediates compared with CeO2 and Ga2O3−CeO2, so it is easy to produce methane under high H2 conditions, while CeO2 is beneficial to improve the selectivity of CO. Therefore, Ga2O3−CeO2 has the potential to serve as a new and highly selective catalyst for reverse water gas shift reaction.
Biomass‐Derived Activated Carbon Nanoarchitectonics with Hibiscus Flowers for High‐Performance Supercapacitor Electrode Applications
Authors: Yan Dong , Liu Lu , Wang Xingyan , Xu Ke , Zhong Jinghan 
Published: January 2022

AbstractActivated carbon is the most widely used electrode material in electrochemical double‐layer capacitors. The rational utilization of biomass energy waste to prepare porous carbon supercapacitor electrodes has effectively realized both the use of biomass waste and the industrial production of high‐performance supercapacitor electrodes. A simple method to employ roselle waste as the precursor of porous carbon supercapacitor electrodes is described. Electrochemical characterization confirmed that an electric double layer with high specific capacitance was formed in the system. The HCF‐3 supercapacitor electrode proved to have good cycle stability. Roselle‐based porous carbon has great potential as a low‐cost, environmentally friendly, and high‐efficiency supercapacitor electrode material.
Binding Interactions in Copper, Silver and Gold π‐Complexes
Authors: Mehara Jaya , Watson Brandon T. , Noonikara‐Poyil Anurag , Zacharias Adway O. , Roithová Jana , Rasika Dias H. V. 
Published: January 2022

AbstractThe copper(I), silver(I), and gold(I) metals bind π‐ligands by σ‐bonding and π‐back bonding interactions. These interactions were investigated using bidentate ancillary ligands with electron donating and withdrawing substituents. The π‐ligands span from ethylene to larger terminal and internal alkenes and alkynes. Results of X‐ray crystallography, NMR, and IR spectroscopy and gas phase experiments show that the binding energies increase in the order Ag<Cu<Au and the binding energies are slightly higher for alkynes than for alkenes. Modulation of the electron density at the metal using substituents on the ancillary ligands shows that the π‐back bonding interaction plays a dominant role for the binding in the copper and gold complexes.