bluuebunny/crossref_metadata_2025_split huggingface dataset:
Phosphorus and potassium mineralization as affected by phosphorus levels and soil types under laboratory condition
Authors: Rawal Nabin , Pande Keshab Raj , Shrestha Renuka , Vista Shree Prasad 
Published: January 2022

AbstractNutrients’ mineralization‐immobilization in soil is crucial for their management in crop production. An incubation experiment was conducted to study the effects of phosphorus levels on mineralization of phosphorus (P) and potassium (K) under three soil types in laboratory conditions at the National Soil Science Research Center in Nepal with 3 × 4 factorial completely randomized design. Two factors were three soil types (silty clay loam, loam, and sandy loam) and four P levels: 0, 25, 50, and 75 kg P2O5 ha–1. Five incubation periods (1, 30, 60, 90, and 120 d after incubation) were replicated three times with total of 180 experimental units. The P and K mineralization patterns varied with soil types and P levels, with higher fluctuation of P content in silty clay loam soil as compared with loam and sandy loam soil. Phosphorus concentration with application of 25 kg, 50 kg, and 75 kg P2O5 ha–1 after 120 d of incubation were 95.6, 112.2, and 116.6 mg kg–1, respectively, which was 19.65% (25 kg P2O5 ha–1) to 45.93% (75 kg P2O5 ha–1) higher than control. There were four stages of mineralization‐immobilization turnover of Olsen‐P and available K: rapid declining trend up to 30 d, slow rise up to 60 d, rapid mineralization up to 90 d, and then slows down up to 120 d. On average, rapid reduction in soil pH from 6.60 to 5.42 was observed within 120 d of incubation. The study of mineralization of PK and change in pH during incubation could be helpful for predicting nutrient availability and requirement time for crops.
Characterizing the body morphology of the first metacarpal in the Homininae using 3D geometric morphometrics
Authors: Morley Jonathan , Bucchi Ana , Lorenzo Carlos , Püschel Thomas A. 
Published: January 2022

AbstractObjectivesThe morphological characteristics of the thumb are of particular interest due to its fundamental role in enhanced manipulation. Despite its possible importance regarding this issue, the body of the first metacarcapal (MC1) has not been fully characterized using morphometrics. This could provide further insights into its anatomy, as well as its relationship with manipulative capabilities. Hence, this study quantifies the shape of the MC1's body in the extant Homininae and some fossil hominins to provide a better characterization of its morphology.Materials and methodsThe sample includes MC1s of modern humans (n = 42), gorillas (n = 27), and chimpanzees (n = 30), as well as Homo neanderthalensis, Homo naledi, and Australopithecus sediba. 3D geometric morphometrics were used to quantify the shape of MC1's body.ResultsThe results show a clear distinction among the three extant genera. H. neanderthalensis mostly falls within the modern human range of variation. H. naledi varies slightly from modern humans, although also showing some unique trait combination, whereas A. sediba varies to an even greater extent. When classified using a discriminant analysis, the three fossils are categorized within the Homo group.ConclusionThe modern human MC1 is characterized by a distinct suite of traits, not present to the same extent in the great apes, that are consistent with an ability to use forceful precision grip. This morphology was also found to align very closely with that of H. neanderthalensis. H. naledi shows a number of human‐like adaptations, while A. sediba presents a mix of both derived and more primitive traits.
Functional Aqueous Zinc–Acetylene Batteries for Electricity Generation and Electrochemical Acetylene Reduction to Ethylene
Authors: An Siying , Liu Zhenpeng , Bu Jun , Lin Jin , Yao Yuan , Yan Chen , Tian Wei , Zhang Jian 
Published: January 2022

AbstractThe available processes for removing acetylene impurities from crude ethylene are tremendously energy‐intensive. Herein, we demonstrate a novel aqueous Zn–C2H2 battery, which not only switches energy‐consuming acetylene removal to electricity generation, but also reduces acetylene to ethylene through a unique discharge mechanism: C2H2+Zn+H2O→C2H4+ZnO. Under a pure acetylene stream, this Zn–C2H2 battery exhibits an open circuit potential of 1.14 V and a peak power density of 2.2 mW cm−2, which exceed those of reported Zn–CO2 batteries. Even for simulated crude ethylene, the Zn–C2H2 battery manifests an acetylene conversion of 99.97 % and continuously produces polymer‐grade ethylene with only ≈3 ppm acetylene during a long‐term discharge operation. Such a functional battery is universally appliable for reducing other alkynes and generating electricity. Therefore, this work provides an effective strategy for green ethylene purification and the design of functional batteries.
The Orbital Origins of Chemical Bonding in Ge−Sb−Te Phase‐Change Materials**
Authors: Hempelmann Jan , Müller Peter C. , Ertural Christina , Dronskowski Richard 
Published: January 2022

AbstractLayered phase‐change materials in the Ge−Sb−Te system are widely used in data storage and are the subject of intense research to understand the quantum‐chemical origin of their unique properties. To uncover the nature of the underlying periodic wavefunction, we have studied the interacting atomic orbitals including their phases by means of crystal orbital bond index and fragment crystal orbital analysis. In full accord with findings based on projected force constants, we demonstrate the role of multicenter bonding along straight atomic connectivities. While the resulting multicenter bonding resembles three‐center‐four‐electron bonding in molecules, its solid‐state manifestation leads to distinct long‐range consequences, thus serving to contextualize the material properties usually termed “metavalent”. Eventually we suggest multicenter bonding to be the origin of their astonishing bond‐breaking and phase‐change behavior, as well as the too small “van‐der‐Waals” gaps between individual layers.
A benchmark study of machine learning methods for molecular electronic transition: Tree‐based ensemble learning versus graph neural network
Authors: Kang Beomchang , Seok Chaok , Lee Juyong 
Published: January 2022

AbstractFluorophores play crucial roles in chemical and biological imaging. An efficient computational model that evaluates the electronic properties of molecules accurately would be a useful tool for discovering novel fluorophores. Tree‐based ensemble and graph neural network (GNN) methods have been regarded as attractive models for predicting molecular properties. Here, we present a benchmark test using three tree‐based ensemble methods (Random Forest, LightGBM, and XGBoost) and three GNNs (directed message passing neural network [D‐MPNN], attention message passing neural network [AMPNN], and DimeNet++) for predicting electronic transition properties such as excitation energies and oscillator strengths. From our benchmark, DimeNet++ was identified as the most accurate model to predict electronic transition properties. The average root mean square error of DimeNet++ for predicting the HOMO–LUMO gap was 0.11 eV whereas those of the other methods exceeded 0.3 eV. D‐MPNN predicted fastest without sacrificing accuracy. Our results show that DimeNet++ and D‐MPNN may serve as helpful evaluators for novel fluorophore design when combined with molecular generation methods.
A survey of polar stationary phases for hydrophilic interaction chromatography and recent progress in understanding retention and selectivity
Authors: Guo Yong 
Published: January 2022

AbstractVarious polar stationary phases are available for hydrophilic interaction chromatography (HILIC) and help drive continuous applications in biomedical, environmental, and pharmaceutical areas in the past decade. Although the stationary phases for HILIC have been reviewed previously, it is an appropriate time to take another look at the progresses made during the past 5 years. The current review provides an overview of the polar stationary phases commercially available for HILIC applications in an effort to assist scientists in selecting suitable columns. New types of stationary phases that were published in literature in the past 5 years are summarized and discussed. The trend in stationary phase research and development is also highlighted. Of particular interest is the experimental evidence for direct interactions of polar analytes with the ligands of the stationary phases under HILIC conditions. In addition, two different approaches have been developed to delineate the relative significance of the partitioning and adsorption mechanisms in HILIC, representing an important advancement in our understanding of the retention mechanisms in HILIC.
Appraisal of information and communications technologies on the teaching process by neuro fuzzy logic
Authors: Cao Yan , AlKubaisy Zenah M. , Stojanović Jelena , Denić Nebojša , Petković Dalibor , Zlatković Dragan , Zakić Aleksandar 
Published: January 2022

AbstractThe use of modern information and communication technologies (ICTs) in the learning process has many advantages, but, as recent research has shown, their introduction into the teaching process is rather slow and complex. The rapid development of ICT has caused many changes in society and, consequently, in the education process. The integration of ICT into the teaching process transforms traditional teaching into new teaching that is ready to respond to the demands and needs of a contemporary learner to increase the quality of education: better student motivation, use of different sources of knowledge, development of functional abilities of students, and the ultimate goal is to increase learning outcomes. For that reason, this article explores the possibilities and ways of introducing GeoGebra's mathematical software in geometry classes and its impact on teaching and understanding of processed material by students. In this study, we analyze the influence of educational software in mathematics lectures. The main goal of educational software is to improve teaching performances and make mathematics attractive for the teaching and learning process as well. Educational software represents a combination of ICT and electronic learning (e‐learning). Taking into account the specifics of the application of these technologies in different scientific disciplines, the aim of this article is to analyze the impact of the teachers' scientific field on the effects of the application of these technologies in selected higher education institutions. The research included teachers from 10 faculties and 3 schools of applied studies, who provided answers to 20 survey questions. A questionnaire study was applied to obtain training and testing data for statistical evaluation. The statistical analysis was based on an adaptive neuro‐fuzzy inference system (ANFIS). The results confirm that the educational software in mathematics lectures is a very important factor for improvement of the teaching process. The effects of this software on motivation, interest, and confidence of the course's participants were observed. The use of ICTs through the use of GeoGebra will be a new challenge for both teachers and students. An assessment of the motivation and achievement of two groups of students was carried out. The control group and experimental group attended classes in a traditional way and by using ICT, respectively. The results of the research have highlighted the huge advantages of introducing ICT into the teaching process.
Serum Compatible Spermine‐Based Cationic Lipids with Nonidentical Hydrocarbon Tails Mediate High Transfection Efficiency
Authors: Thongbamrer Chopaka , Roobsoong Wanlapa , Sattabongkot Jetsumon , Opanasopit Praneet , Yingyongnarongkul Boon‐ek 
Published: January 2022

AbstractCationic lipids are widely used as nonviral synthetic vectors for gene delivery as a safer alternative to viral vectors. In this work, a library of L‐shaped spermine‐based cationic lipids with identical and nonidentical hydrophobic chains having variable carbon lengths (from C10 to C18) was designed and synthesized. These lipids were characterized and the structure‐activity relationships of these compounds were determined for DNA binding and transfection ability when formulated as cationic liposomes. The liposomes were then used successfully for the transfection of HEK293T, HeLa, PC3, H460, HepG2, SH‐SY5Y and Calu’3 cell lines. The transfection efficiency of lipids with nonidentical hydrocarbon chains was greater than the identical analogue. These reagents exhibited superior efficiency to the commercial reagent, Lipofectamine3000, under both serum‐free and 10–40 % serum conditions in HEK293T, HeLa and H460 cell lines. The lipids were not toxic to the tested cell line. The results suggest that L‐shaped spermine‐based cationic lipids with nonidentical hydrocarbon tails could serve as efficient and safe nonviral vector gene carriers in further in vivo studies.
Combining computer vision and deep learning to classify varieties of Prunus dulcis for the nursery plant industry
Authors: Borraz‐Martínez Sergio , Simó Joan , Gras Anna , Mestre Mariàngela , Boqué Ricard , Tarrés Francesc 
Published: January 2022

AbstractVarietal control to avoid unwanted varietal mixtures is an important objective for the nursery plant industry. In this study, we have developed and analyzed the capabilities of a computer vision system based on deep learning for the control of plant varieties in the nursery plant industry and for evaluating its capabilities. For this purpose, three datasets of nursery plant images were compared. The datasets came from two varieties of almond trees (Prunus dulcis) named Soleta and Pentacebas. Each dataset contained images with three different scales: whole plant, leaf, and venation. The Gradient‐weighted Class Activation Mapping (Grad‐CAM) technique was used to unveil the most important features to discriminate between both varieties. The three datasets provided classification accuracies above 97% in the test set, being the leaf dataset, with a 98.8% accuracy, the one providing the best results. Concerning the most important features of the plants, the Grad‐CAM showed that they are located in the center of the leaf, that is, the venation. In conclusion, we have shown that computer vision is a promising technique for the control of plant varietal mixtures.
A Modular Synthesis of Substituted Cycloparaphenylenes
Authors: Kohrs Daniel , Becker Jonathan , Wegner Hermann A. 
Published: January 2022

AbstractHerein, we report a modular synthesis providing access to substituted cycloparaphenylenes (CPPs) of different sizes. A key synthon introducing two geminal ester units was efficiently prepared by [2+2+2] cycloaddition. This building block can be conveniently converted to macrocyclic precursors controlling the ring size of the final CPP. Efficient reductive aromatization through single‐electron transfer provided the substituted nanohoops in a straightforward manner. The tBu ester substitution pattern enables a tube‐like arrangement in the solid‐state governed by van der Waals interactions that exhibits one of the tightest packings of CPPs in tube direction, thus opening new avenues in the crystal design of CPPs.
Multi‐Level Approach for Comprehensive Enamel Phenotyping
Authors: Aranaz‐Novaliches Goretti , Spoutil Frantisek , Bukova Ivana , Krejzova Irena , Olsinova Marie , Dalecka Marketa , Benda Ales , Rozman Jan , Sedlacek Radislav , Prochazka Jan 
Published: January 2022

AbstractEnamel is the hardest tissue in mammalian organisms and is the layer covering the tooth. It consists of hydroxyapatite (HAP) crystallites, which mineralize on a protein scaffold known as the enamel matrix. Enamel matrix assembly is a very complex process mediated by enamel matrix proteins (EMPs). Altered HAP deposition or disintegration of the protein scaffold can cause enamel defects. Various methods have been established for enamel phenotyping, including MicroCT scanning with various resolutions from 9 µm for in vivo imaging to 1.5 µm for ex vivo imaging. With increasing resolution, we can see not only the enamel layer itself but also a detailed map of mineralization. To study enamel microstructure, we combine the MicroCT analysis with scanning electron microscopy (SEM), which enables us to perform element analyses such as calcium‐carbon ratio. However, the methods mentioned above only show the result—already formed enamel. Stimulated emission depletion (STED) microscopy provides extra information about protein structure in the form of EMP localization and position before enamel mineralization. A combination of all these methods allows analyzing the same sample on multiple levels—starting with the live animal being scanned harmlessly and quickly, followed by sacrifice and high‐resolution MicroCT scans requiring no special sample preparation. The biggest advantage is that samples remain in perfect condition for SEM or STED microscopic analysis. © 2022 Wiley Periodicals LLC.Basic Protocol 1: In vivo MicroCT scanning of mouseBasic Protocol 2: Ex vivo HR‐MicroCT of the teethBasic Protocol 3: SEM for teeth microstructureBasic Protocol 4: Stimulated emission depletion (STED) microscopy
Experimental study on power generation plant of a 1 kW small‐scale Organic Rankine Cycle system using R290
Authors: Wang Feng , Gao Wenzhong , Li Gen , Tian Zhen , Wang Xiaozhong 
Published: January 2022

AbstractThis work presents an experimental investigation of a small‐scale cryogenic Organic Rankine Cycle (ORC) power generation plant for cold energy utilization using scroll expander and R290. The fresh water and liquid nitrogen were used as heat source and heat sink, respectively. Furthermore, expander gross output power and isentropic efficiency, system thermal efficiency, and cold energy utilization efficiency were calculated as a principle to evaluate the overall system performance. The experimental results demonstrate that increasing pressure drop and heat source temperature will benefit the system performance in some extent, and the pressure drop exhibits a relative sensitivity to heat source temperature about the system performance. Moreover, the expander gross output power will get the peak value while the heat source and heat sink in the best matching. When the mass flow rate of liquid nitrogen at 120 kg/h, optimum pressure drop is 1.02 Mpa, and the corresponding expander gross output power, thermal efficiency, and cold energy utilization efficiency were 638.2W, 0.0586, and 0.0976, respectively. The optimum heat source temperature is 50℃ under liquid nitrogen mass flow rate of 120 kg/h, and the corresponding expander gross output power, thermal efficiency, and cold energy utilization efficiency were 674.2 W, 0.0594, and 0.099, respectively.
Citation
Authors: Mariner Kathryn A. 
Published: January 2022

AbstractThis experimental essay examines citation as a multifaceted feminist keyword and praxis that is political, epistemological, mathematical, personal, temporal, navigational, correctional, capital, methodological, and aspirational. The piece itself is a performative journey through the myriad processes, politics, and poetics of citation, an attempt to embody citation's inherently in/elegant awkwardness, the way it can serve as a deeply personal window into the process of writing, living, and being. This journey reveals how citation, though often portrayed as a neat kind of resolution, remains splayed open and unresolved in numerous ways. It is an attempt to lay bare the process of building toward something that is not entirely one's own, a process routinely contained in a tidy footnote or cradled between two parentheses. Intentionally raising more questions than it answers, the following prompts the reader to interrogate various assumptions about how certain words become keywords, the boundaries of their definitions, and the emotional, epistemological, and conceptual baggage that accompanies them.
A photoelicitation exploration on formally homeless people experience with Universal Credit: System error and 'the government don't care'
Authors: B. De Oliveira Bruno 
Published: January 2022

AbstractThis article explores the impact of Universal Credit (UC) on a group of formerly homeless people who were forcibly made to experience a system of full of errors and government that, in their view, did not care. The experience of a marginalised and vulnerable group with complex needs allows one to consider the impacts of welfare reforms on vulnerable people. The research was conducted with formerly homeless contacted via organisations that support people who experienced homelessness in Brighton, Southeast of the UK. Five people (32 years and older) participated. Qualitative data were obtained in photo‐elicitation interviews and were thematically analysed. Findings were that they faced a system of error as well as experiencing a sense the government did not care about their situation. The participants expressed their views on how the UC process made them ‘struggle’ and caused them to have to ‘use food banks’, and argued that the staff did not know the policy. The system is singled out as the cause of UC claimants' destitution. For the participants, policymakers' negligence, contempt, and detachment were not hard to understand. The article provides implications for practice and research.
Closing the gap: did delivery approaches complementary to home‐based testing reach men with HIV testing services during and after the HPTN 071 (PopART) trial in Zambia?
Authors: Phiri Mwelwa Muleba , Schaap Ab , Simwinga Musonda , Hensen Bernadette , Floyd Sian , Mulubwa Chama , Simuyaba Melvin , Chiti Bwalya , Bond Virginia , Shanaube Kwame , Fidler Sarah , Hayes Richard , Ayles Helen ,   the HPTN 071 (PopART) Study team
Published: January 2022

AbstractIntroductionThe HPTN 071 (PopART) trial demonstrated that universal HIV testing‐and‐treatment reduced community‐level HIV incidence. Door‐to‐door delivery of HIV testing services (HTS) was one of the main components of the intervention. From an early stage, men were less likely to know their HIV status than women, primarily because they were not home during service delivery. To reach more men, different strategies were implemented during the trial. We present the relative contribution of these strategies to coverage of HTS and the impact of community hubs implemented after completion of the trial among men.MethodsBetween 2013 and 2017, three intervention rounds (IRs) of door‐to‐door HTS delivery were conducted in eight PopART communities in Zambia. Additional strategies implemented in parallel, included: community‐wide “Man‐up” campaigns (IR1), smaller HTS campaigns at work/social places (IR2) and revisits to households with the option of HIV self‐testing (HIVST) (IR3). In 2018, community “hubs” offering HTS were implemented for 7 months in all eight communities. Population enumeration data for each round of HTS provided the denominator, allowing for calculation of the proportion of men tested as a result of each strategy during different time periods.ResultsBy the end of the three IRs, 65–75% of men were reached with HTS, primarily through door‐to‐door service delivery. In IR1 and IR2, “Man‐up” and work/social place campaigns accounted for ∼1 percentage point each and in IR3, revisits with the option of self‐testing for ∼15 percentage points of this total coverage per IR. The yield of newly diagnosed HIV‐positive men ranged from 2.2% for HIVST revisits to 9.9% in work/social places. At community hubs, the majority of visitors accepting services were men (62.8%). In total, we estimated that ∼36% (2.2% tested HIV positive) of men resident but not found at their household during IR3 of PopART accessed HTS provided at the hubs after trial completion.ConclusionsAchieving high coverage of HTS among men requires universal, home‐based service delivery combined with an option of HIVST and delivery of HTS through community‐based hubs. When men are reached, they are willing to test for HIV. Reaching men thus requires implementers to adapt their HTS delivery strategies to meet men's needs.Clinical Trial NumberNCT01900977