bluuebunny/crossref_metadata_2025_split huggingface dataset:
Simultaneously Tuning Charge Separation and Surface Reaction in a Fe2O3 Photoanode for Enhanced Photoelectrochemical Water Oxidation
Authors: Chen Fukun , Zhang Liwei , Chen Xingxing 
Published: October 2021

AbstractPhotoelectrochemical (PEC) water splitting has gained intensive attention owing to its capability of converting solar energy into chemical fuel, that is, hydrogen. However, the PEC efficiency is severely limited by the recombination of charge carriers and slow kinetics of surface water oxidation. The exploration of efficient photoanodes is, thus, urgently demanded. Herein, a bilateral charge modulation strategy for an improved Fe2O3 photoanode is reported. Z‐scheme Fe2O3‐g‐C3N4 heterojunction is first prepared with the aim of promoting the charge separation, followed by the electrodeposition of a NiFe‐based layered double hydroxide (LDH) on it in order to concurrently slow down the hole accumulation on the electrode surface and catalyze the water oxidation. The fabricated NiFe‐LDH@Fe2O3‐g‐C3N4 electrode exhibits an enhanced photocurrent density of 0.29 mA cm−2 at 1.23 VRHE, which is almost five times that of the pristine Fe2O3 (0.06 mA cm−2). This work provides an appealing maneuver for improving water oxidation performance in semiconductor‐based PEC systems.
Tailor‐Made Amino Acids in Pharmaceutical Industry: Synthetic Approaches to Aza‐Tryptophan Derivatives
Authors: Han Jianlin , Lyutenko Nataliya V. , Sorochinsky Alexander E. , Okawara Ayaka , Konno Hiroyuki , White Sarah , Soloshonok Vadim A. 
Published: October 2021

AbstractOver the recent years there has been a noticeable upsurge of interest in aza‐analogs of tryptophan which are isosteric to the latter and found numerous applications in medicinal, bioorganic chemistry, and peptide research. In the present review article, five aza‐tryptophan derivatives are profiled, including aza‐substitution in the positions 2, on the five‐membered ring, as well as in positions 4, 5, 6, and 7 on the six‐membered ring. A detailed and comprehensive literature overview of the synthetic methods for the preparation of these aza‐tryptophans is presented and general facets of the biological properties and most promising applications are discussed.
Multi‐Step Synthesis of Miltefosine: Integration of Flow Chemistry with Continuous Mechanochemistry
Authors: Patil Niteen B. , Atapalkar Ranjit S. , Chavan Subhash P. , Kulkarni Amol A. 
Published: October 2021

AbstractHerein we report for the first time, an advanced continuous flow synthesis of the blockbuster Leishmaniasis drug miltefosine from simple starting materials by a sequence involving four steps of chemical transformation including a continuous mechanochemical step. First three reaction steps were performed in simple tubular reactors in a telescopic mode, while in the last step the product precipitated from the 3rd step was used for a continuous mechanochemical synthesis of miltefosine. When compared to a typical batch protocol that takes 15 h, miltefosine was obtained in 58 % overall yield in flow synthesis mode at the laboratory scale in a total residence time 34 min at synthesis rate of 10 g/hr, which is sufficient to treat 4800 patients per day.
Chiral analysis of pantolactone with molecular rotational resonance spectroscopy
Authors: Sonstrom Reilly E. , Neill Justin L. , Mikhonin Alexander V. , Doetzer Reinhard , Pate Brooks H. 
Published: October 2021

AbstractA molecular rotational resonance spectroscopy method for measuring the enantiomeric excess of pantolactone, an intermediate in the synthesis of panthenol and pantothenic acid, is presented. The enantiomers are distinguished via complexation with a small chiral tag molecule, which produces diastereomeric complexes in the pulsed jet expansion used to inject the sample into the spectrometer. These complexes have distinct moments of inertia, so their spectra are resolved by MRR spectroscopy. Quantitative enantiomeric excess (EE) measurements are made by taking the ratio of normalized complex signal levels when a chiral tag sample of high, known EE is used, while the absolute configuration of the sample can be determined from electronic structure calculations of the complex geometries. These measurements can be performed without the need for reference samples with known enantiopurity. Two instruments were used in the analysis. A broadband, chirped‐pulse spectrometer is used to perform structural characterization of the complexes. The broadband spectrometer is also used to determine the EE; however, this approach requires relatively long measurement times. A targeted MRR spectrometer is also used to demonstrate EE analysis with approximately 15‐min sample‐to‐sample cycle time. The quantitative accuracy of the method is demonstrated by comparison with chiral gas chromatography and through the measurement of a series of reference samples prepared from mixtures of (R)‐pantolactone and (S)‐pantolactone samples of known EE.
The Discovery and Structure‐Activity Evaluation of (+)‐Floyocidin B and Synthetic Analogs
Authors: Kleiner Yolanda , Pöverlein Christoph , Klädtke Jannike , Kurz Michael , König Henrik F. , Becker Jonathan , Mihajlovic Sanja , Zubeil Florian , Marner Michael , Vilcinskas Andreas , Schäberle Till F. , Hammann Peter , Schuler Sören M. M. , Bauer Armin 
Published: October 2021

AbstractTuberculosis represents one of the ten most common courses of death worldwide and the emergence of multidrug‐resistant M. tuberculosis makes the discovery of novel anti‐tuberculosis active structures an urgent priority. Here, we show that (+)‐floyocidin B representing the first example of a novel dihydroisoquinoline class of fungus‐derived natural products, displays promising antitubercular hit properties. (+)‐Floyocidin B was identified by activity‐guided extract screening and its structure was unambiguously determined by total synthesis. The absolute configuration was deduced from a key synthesis intermediate by single crystal X‐ray diffraction analysis. A hit series was generated by the isolation of further natural congeners and the synthesis of analogs of (+)‐floyocidin B. Extensive biological and physicochemical profiling of this series revealed first structure‐activity relationships and set the basis for further optimization and development of this novel antitubercular scaffold.
Stability analysis and feedback design of a direct current–direct current power converter by vector Lyapunov function
Authors: Eskandari Atieh , Hodtani Ghosheh Abed 
Published: October 2021

SummaryTo prove the stability of hybrid systems, where, several subsystems are in series–parallel arrangement, Vector Lyapunov functions are appropriate substitutes for the scalar Lyapunov ones. By assigning a scalar Lyapunov function to each subsystem, the stability of the whole hybrid system can be analyzed. In this paper, having reviewed the preliminaries, a direct current (DC) –DC converter working as an incremental voltage source is selected. We show that the conditions of the vector Lyapunov stability are satisfied by deriving the variation interval for the feedback coefficients and obtaining the appropriate feedback factor given the desired output. Simplicity and less restrictedness of vector Lyapunov method is shown comparatively. All the derived mathematical relations are validated by numerical computations.
Waste not, want not: Microsatellites remain an economical and informative technology for conservation genetics
Authors: Hauser Samantha S. , Athrey Giridhar , Leberg Paul L. 
Published: October 2021

AbstractComparisons of microsatellites and single‐nucleotide polymorphisms (SNPs) have found that SNPs outperform microsatellites in population genetic analyses, questioning the continued utility of microsatellites in population and landscape genetics. Yet, highly polymorphic markers may be of value in species that have reduced genetic variation. This study repeated previous analyses that used microsatellites with SNPs developed from ddRAD sequencing in the black‐capped vireo source‐sink system. SNPs provided greater resolution of genetic diversity, population differentiation, and migrant detection but could not reconstruct parentage relationships due to insufficient heterozygosities. The biological inferences made by both sets of markers were similar: asymmetrical gene flow from source sites to the remaining sink sites. With the landscape genetic analyses, we found different results between the two molecular markers, but associations of the top environmental features (riparian, open habitat, agriculture, and human development) with dispersal estimates were shared between marker types. Despite the higher precision of SNPs, we find that microsatellites effectively uncover population processes and patterns and are superior for parentage analyses in this species with reduced genetic diversity. This study illustrates the continued applicability and relevance of microsatellites in population genetic research.
Identifying mismatches between conservation area networks and vulnerable populations using spatial randomization
Authors: Nunes Laura A. , Ribic Christine A. , Zuckerberg Benjamin 
Published: October 2021

AbstractGrassland birds are among the most globally threatened bird groups due to substantial degradation of native grassland habitats. However, the current network of grassland conservation areas may not be adequate for halting population declines and biodiversity loss. Here, we evaluate a network of grassland conservation areas within Wisconsin, U.S.A., that includes both large Focal Landscapes and smaller targeted conservation areas (e.g., Grassland Bird Conservation Areas, GBCAs) established within them. To date, this conservation network has lacked baseline information to assess whether the current placement of these conservation areas aligns with population hot spots of grassland‐dependent taxa. To do so, we fitted data from thousands of avian point‐count surveys collected by citizen scientists as part of Wisconsin's Breeding Bird Atlas II with multinomial N‐mixture models to estimate habitat–abundance relationships, develop spatially explicit predictions of abundance, and establish ecological baselines within priority conservation areas for a suite of obligate grassland songbirds. Next, we developed spatial randomization tests to evaluate the placement of this conservation network relative to randomly placed conservation networks. Overall, less than 20% of species statewide populations were found within the current grassland conservation network. Spatial tests demonstrated a high representation of this bird assemblage within the entire conservation network, but with a bias toward birds associated with moderately tallgrasses relative to those associated with shortgrasses or tallgrasses. We also found that GBCAs had higher representation at Focal Landscape rather than statewide scales. Here, we demonstrated how combining citizen science data with hierarchical modeling is a powerful tool for estimating ecological baselines and conducting large‐scale evaluations of an existing conservation network for multiple grassland birds. Our flexible spatial randomization approach offers the potential to be applied to other protected area networks and serves as a complementary tool for conservation planning efforts globally.
Integrated modeling of waterfowl distribution in western Canada using aerial survey and citizen science (eBird) data
Authors: Adde Antoine , Casabona i Amat Clara , Mazerolle Marc J. , Darveau Marcel , Cumming Steven G. , O'Hara Robert B. 
Published: October 2021

AbstractAlthough the exceptional spatiotemporal extent of the Waterfowl Breeding Population and Habitat Survey (WBPHS) has substantially contributed to our understanding of the ecology of North American waterfowl, vast geographical areas remain excluded from the survey. The unprecedented number of observations generated by the recent boom in citizen science initiatives could help resolve these spatial gaps and increase the density of records in regions already covered. The study objective was to assess the value of the integrated species distribution modeling (ISDM) approach for integrating WBPHS and eBird data to model waterfowl distribution across the Canadian western boreal forest, where WBPHS data are sparse. Following the ISDM approach, we used a state‐space point process formulation that combined a model for the “true” species distribution and two observation models for how WBPHS and eBird data were generated. Our results highlighted the importance of observational processes related to sampling effort and site accessibility for modeling eBird data. In addition, our models allowed identifying waterfowl–habitat associations related to geoclimatic, forest, and hydrological factors that explained the distribution of target species. To assess the individual contribution of WBPHS and eBird data, we re‐fitted the models using only one of the two data sets and compared the results obtained against those from the integrated approach. Waterfowl–habitat associations and predictions derived from the models using both data sets and those fitted with WBPHS data only were close and consistent with the observed species distribution. However, it was more difficult to extract an ecological signal from models fitted with eBird data only. Interestingly, predictions from models combining both data sets were closer to the WBPHS records than the predictions from models fitted with WBPHS data only. By facilitating the combination of all available data sources, we demonstrated the potential of the ISDM approach for modeling and mapping species distributions. We encourage future North American waterfowl modeling attempts to use this method, especially for resolving gaps in the WBPHS coverage. As multiple data sets can be added to the original framework, integration efforts must not be restricted to the additional contribution of eBird data alone and could consider, for example, provincial atlases and regional helicopter surveys.
Serum and follicular fluid chemerin and chemerin mRNA expression in women with polycystic ovary syndrome: Systematic review and meta‐analysis
Authors: Mansoori Anahita , Amoochi‐Foroushani Golnaz , Zilaee Marzie , Hosseini Seyed Ahmad , Azhdari Maryam 
Published: October 2021

AbstractIntroductionPolycystic ovary syndrome (PCOS) is one of the most common endocrine disorders among women of reproductive age. Chemerin, a novel adipokine, is involved in inflammation, energy metabolism, adipogenesis, angiogenesis and insulin secretion in the adipose cells and ovary. This systematic review with meta‐analysis aimed to compare serum and follicular fluid (FF) chemerin and ovarian chemerin mRNA expression among women with PCOS and non‐PCOS.MethodsElectronic databases including Web of Science, PubMed, Google Scholar, Scopus, Cochrane and CINAHL were used for a comprehensive search through April 2021. Of the 174 articles initially identified, 22 studies met the eligibility criteria. A random‐effects model with a weighted mean difference (WMD) and 95% confidence interval (CI) was performed to compare the outcomes between groups. Subgroup and sensitivity analyses were performed to detect the sources of heterogeneity.ResultsWomen with PCOS compared to without PCOS showed significantly higher serum chemerin [WMD: 12.02 pg/ml (95% CI: [10.92, 13.13]), p < .001], chemerin mRNA expression [WMD: 0.38% (95% CI [0.25, 0.52]), p = .001] and FF chemerin [(WMD): 41.7 pg/ml (95% CI [17.89, 65.5]) p < .001]. Further, serum chemerin remained high in PCOS women even with subgroup analysis based on body mass index (BMI) or sample size (p < .001). Serum chemerin was higher in women with PCOS and higher BMI [(WMD): 3.29 pg/ml (95% CI: [2.73, 3.384]), p < .001]. The expression of chemerin mRNA was significantly higher in the PCOS group compared to the control group [WMD: 0.38% (95% CI [0.25, 0.52]), p < .001].ConclusionSerum and FF chemerin and mRNA expression were higher in the PCOS group compared to the controls. Further, serum chemerin was higher in PCOS women with higher BMI compared to lower BMI. The present findings illustrate that chemerin may be associated with PCOS status and BMI, independently.
Tetrazole‐Based Energetic Metal‐Organic Frameworks: Impacts of Metals and Ligands on Explosive Properties
Authors: Cho Sujee , Kim Yeongjin , Lee Soochan , Cho Hyeonsoo , Park Jonghoon , Hwan Hong Doo , Kwon Kuktae , Yoo Hae‐Wook , Choe Wonyoung , Ri Moon Hoi 
Published: October 2021

AbstractNew energetic materials are required to compensate for the shortcomings of the current ones. Especially secondary explosives are the ones with low‐sensitivity, while maintaining energetic performance similar to those of primary ones, and particularly useful when safety must be ensured. Herein, we report two energetic metal‐organic frameworks (eMOFs), eMOF‐1, [Mn5(mtz)6.1(atz)2.9(NO3)] (mtz=5‐methyltetrazole, atz=5‐aminotetrazole) and eMOF‐2, [Cu(mtz)2], both of which have unique detonation and sensitivity properties. In particular, eMOF‐1, firstly reported here, shows better energetic performance when compared with the previously reported material, Cd‐based mtz MOF, an isostructural series. In addition, eMOF‐2 synthesized in water shows a great detonation performance, whereas isotopological Zn‐based mtz MOF did not show a meaningful performance as an explosive. Therefore, such reticular approach, i. e. replacing metal ions or ligands in isostructural frameworks, can be quite effective for the development of a new breed of energetic materials.
Efficacy of different analgesia treatments for abdominal surgery: A network meta‐analysis
Authors: Xuan Chengluan , Yan Wen , Wang Dan , Li Cong , Ma Haichun , Mueller Ariel , Deng Hao , Houle Timothy , Wang Jingping 
Published: October 2021

AbstractObjectiveThis study was designed to evaluate the efficacy of analgesia and incidence of postoperative nausea and vomiting (PONV) of several widely used clinical treatments for postoperative analgesia following abdominal surgery through network meta‐analysis (NMA) based on published randomized controlled trials (RCTs).MethodsThis NMA was registered on PROSPERO as CRD 42020169606. Primary outcomes were pain scores (visual analog scale) and accumulative opioid consumption, and secondary outcomes assessed the incidence of PONV at 24 h after surgery.ResultsA total of 215 RCTs and 15,114 patients were identified in this NMA. In comparison with placebo, use of a preoperative paravertebral block (mean: −12.63, 95% CI: −21.12 to −4.13), continuous wound infiltration (mean: −9.68, 95%CI: −13.15 to −6.22) and postoperative wound infiltration (mean: −6.34, 95%CI: −10.59 to −2.08) had significantly lower pain scores, less opioid consumption (mean: −2.00, 95%CI: −3.52 to −0.48; mean: −1.34, 95%CI: −1.87 to −0.81; mean: −1.41, 95%CI: −2.07 to −0.74, respectively) and lower incidence of PONV (OR: 0.30, 95%CI: 0.13 to 0.67; OR: 0.49, 95%CI: 0.24 to 0.98; OR: 0.55, 95%CI: 0.34 to 0.89, respectively).ConclusionsThe findings from our work provide evidence that preoperative paravertebral block was superior to continuous or postoperative wound infiltration to provide postoperative analgesia, nausea and vomiting after abdominal surgery.
An enhanced approach for solvingmulti‐objectivecogeneration based unit commitment problem
Authors: Anand Himanshu , Narang Nitin , Dhillon J. S. 
Published: October 2021

AbstractEnvironmental concerns motivate the researchers to consider the pollutants emission as an important objective in the cogeneration‐based unit commitment problem (CBUCP). Hence, single objective CBUCP has been extended as a multi‐objective optimization problem (MOP). In the MO CBUC problem (MO‐CBUCP), in which operating costs are optimized along with pollutants. The CBUCP is a nonlinear, mixed‐integer, and highly constrained optimization problem. The nature‐inspired binary and continuous particle swarm optimization (BPSO‐PSO) approach have been applied to deal with binary (ON/OFF) and real variables of the CBUCP, respectively. To attain a global best solution with the minimum CPU burden, an enhanced optimization approach (EOA) based on the combination of conventional and global optimization techniques is also applied. The enhanced successive approximation approach (SAA) is applied to deal with binary variables of the UC problem and global search is employed to search continuous variables. In the MOP, a fuzzy membership approach unifies the different objectives of MO‐CBUCP. The decision‐making method decides the best‐satisfied non‐dominated solution among Pareto optimal solutions. The MO‐CBUCP test system has been undertaken and results reveal that the ‘EOA’ technique is superior as compared to the BPSO‐PSO approach. It has been examined from results that cogeneration unit has a significant impact on operating cost and pollutants emission of the cogeneration system.
Shaking table tests of a full‐scale flat‐bottom manufactured steel silo filled with wheat: Main results on the fixed‐base configuration
Authors: Silvestri Stefano , Mansour Sulyman , Marra Matteo , Distl Johann , Furinghetti Marco , Lanese Igor , Hernández‐Montes Enrique , Neri Caterina , Palermo Michele , Pavese Alberto , Rizzo Parisi Elisa , Sadowski Adam Jan , Selva Francesco , Taniguchi Tomoyo , Vadrucci Laura , Weber Felix 
Published: October 2021

AbstractThis paper reports on a series of shaking table tests on a full‐scale flat‐bottom steel silo filled with soft wheat, characterized by aspect ratio of around 0.9. The specimen was a 3.64‐m diameter and 5.50‐m high corrugated‐wall cylindrical silo. Multiple sensors were used to monitor the static and dynamic response of the filled silo system, including accelerometers and pressure cells. Numerous unidirectional dynamic tests were performed consisting of random signals, sinusoidal inputs, and both artificial and real earthquake records. The objectives of this paper are (i) to provide a general overview of the whole experimental campaign and (ii) to present selected results obtained for the fixed‐base configuration. The measured data were processed to assess the static pressures, the dynamic overpressures (related to the effective mass) and the accelerations of monitored points on the silo wall, and to identify the basic dynamic properties (fundamental frequency of vibration, damping ratio, dynamic amplification factors) of the filled silo. The main findings are discussed and compared with the predictions given by available theoretical models and code provisions. It is found that the fundamental frequency slightly decreases with increasing acceleration, while it slightly increases with increasing compaction of the granular material. For close‐to‐resonance input, the dynamic amplification (in terms of peak values of accelerations) increases along the height of the silo wall up to values of around 1.4 at the top surface of the solid content. The dynamic overpressures appear to increase with depth (differently from the EN1998‐4 expectations), and to be proportional to the acceleration.