bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bed structure and its impact on liquid distribution in a trickle bed reactor
Authors: Srivastava Akarsha , Nigam Krishna D. P. , Roy Shantanu 
Published: February 2022

AbstractTrickle bed reactors, which has been a workhorse for the process and refining industry for many decades, are progressively being challenged to provide solutions to deep processing of feedstocks. It is known that the structure of the packed bed which is formed with a certain arrangement of catalyst particles in the three‐dimensional space within the reactor modulates in an unknown fashion the flow of fluids in the trickle bed, and in turn affects the conversion and selectivity in the trickle bed. Under deep processing conditions, the impact of the bed structure in modulating the overall reactor performance in a trickle bed is not as yet established. The question begets three sequential studies: estimating and quantifying the bed structure, measuring the liquid distribution, and estimating transport parameters (that are dependent on the bed structure and liquid distribution) so that the overall performance metrics as a reactor may be quantified. This contribution relates to the second of these questions, the first being already addressed to some extent by our earlier work. The current investigation aims at quantifying the effect of structure of the packed bed on hydrodynamics of the reactor. The impact of various packing techniques is discussed along with the development of correlations for two‐phase pressure drop and dynamic liquid holdup. Liquid distribution is studied in depth for various operating parameters such as gas and liquid superficial velocities and column aspect ratio for uniform and non‐uniform packing methods. The packing devices consist of various inserts attached to a hopper which can generate packing structures having void fraction in the range of 37.2%–46.4%. The maldistribution factor and flow maps for various aspect ratio of column suggest that maldistribution rises along with the increased channeling effect along the height of the column. Uniformly packed bed were measurably less prone to maldistribution along the length than the non‐uniformly packed beds.
Phylogenomic discordance suggests polytomies along the backbone of the large genus Solanum
Authors: Gagnon Edeline , Hilgenhof Rebecca , Orejuela Andrés , McDonnell Angela , Sablok Gaurav , Aubriot Xavier , Giacomin Leandro , Gouvêa Yuri , Bragionis Thamyris , Stehmann João Renato , Bohs Lynn , Dodsworth Steven , Martine Christopher , Poczai Péter , Knapp Sandra , Särkinen Tiina 
Published: February 2022

AbstractPremiseEvolutionary studies require solid phylogenetic frameworks, but increased volumes of phylogenomic data have revealed incongruent topologies among gene trees in many organisms both between and within genomes. Some of these incongruences indicate polytomies that may remain impossible to resolve. Here we investigate the degree of gene‐tree discordance in Solanum, one of the largest flowering plant genera that includes the cultivated potato, tomato, and eggplant, as well as 24 minor crop plants.MethodsA densely sampled species‐level phylogeny of Solanum is built using unpublished and publicly available Sanger sequences comprising 60% of all accepted species (742 spp.) and nine regions (ITS, waxy, and seven plastid markers). The robustness of this topology is tested by examining a full plastome dataset with 140 species and a nuclear target‐capture dataset with 39 species of Solanum (Angiosperms353 probe set).ResultsWhile the taxonomic framework of Solanum remained stable, gene tree conflicts and discordance between phylogenetic trees generated from the target‐capture and plastome datasets were observed. The latter correspond to regions with short internodal branches, and network analysis and polytomy tests suggest the backbone is composed of three polytomies found at different evolutionary depths. The strongest area of discordance, near the crown node of Solanum, could potentially represent a hard polytomy.ConclusionsWe argue that incomplete lineage sorting due to rapid diversification is the most likely cause for these polytomies, and that embracing the uncertainty that underlies them is crucial to understand the evolution of large and rapidly radiating lineages.
DREAMTIME NMR Spectroscopy: Targeted Multi‐Compound Selection with Improved Detection Limits
Authors: Jenne Amy , Bermel Wolfgang , Michal Carl A. , Gruschke Oliver , Soong Ronald , Ghosh Biswas Rajshree , Bastawrous Monica , Simpson Andre J. 
Published: February 2022

AbstractNMR/MRI are critical tools for studying molecular structure and interactions but suffer from relatively low sensitivity and spectral overlap. Here, a Nuclear Magnetic Resonance (NMR) approach, termed DREAMTIME, is introduced that provides “a molecular window” inside complex systems, capable of showing only what the user desires, with complete molecular specificity. The user chooses a list of molecules of interest, and the approach detects only those targets while all other molecules are invisible. The approach is demonstrated in whole human blood and urine, small living aquatic organisms in 1D/2D NMR, and MRI. Finally, as proof‐of‐concept, once overlap is removed via DREAMTIME, a novel “multi‐focusing” approach can be used to increase sensitivity. In human blood and urine, sensitivity increases of 7–12 fold over standard 1H NMR are observed. Applicable even to unknowns, DREAMTIME has widespread application, from monitoring product formation in organic chemistry to monitoring/identifying suites of molecular targets in complex media or in vivo.
Distal Ruthenaelectro‐Catalyzed meta‐C−H Bromination with Aqueous HBr
Authors: Wang Yulei , Simon Hendrik , Chen Xinran , Lin Zhipeng , Chen Shan , Ackermann Lutz 
Published: February 2022

AbstractWhile electrochemical ortho‐selective C−H activations are well established, distal C−H activations continue to be underdeveloped. In contrast, we herein describe the electrochemical meta‐C−H functionalization. The remote C−H bromination was accomplished in an undivided cell by RuCl3⋅3 H2O with aqueous HBr. The electrohalogenation proceeded under exogenous ligand‐ and electrolyte‐free conditions. Notably, pyrazolylarenes were meta‐selectively brominated at the benzenoid moiety, rather than on the electron‐rich pyrazole ring for the first time. Mechanistic studies were suggestive of an initial ruthenacycle formation, and a subsequent ligand‐to‐ligand hydrogen transfer (LLHT) process to liberate the brominated product.
Synthesis, characterization, and biological activities of folic acid conjugates with polyvinyl alcohol, chitosan, and cellulose
Authors: El‐Naggar Sabry A. , El‐Barbary Ahmed A. , Salama Wesam M. , Elkholy Hazem M. 
Published: February 2022

AbstractPolyvinyl alcohol (PVA), chitosan (CS), and cellulose (CL) are promising polymers for chemical functionalization and biomedical applications. This study aimed to synthesize folic acid (FA) conjugates with PVA, CS, and CL via chloroacetyl chloride, 2‐bromopropionyl bromide, and epichlorohydrin to enhance it biomedical applications. The functionalized polymer conjugates were characterized by FT‐IR,1H‐NMR, GPC, and TGA techniques. FT‐IR and1H‐NMR revealed the main functional groups (OH, NH, C═O, C═N), the aromatic CH and NH protons of FA moieties. TGA illustrated two stages of decompositions of all‐polymer conjugates. FA showed no antifungal activity, while two of the newly grafted polymer conjugates (chitosan bromopropionate‐grafted FA and cellulose chloroacetate‐grafted FA) illustrated antifungal activity against bothAspergillus fumigatusandCandida albicans. Polymer conjugates; poly(vinyl chloroacetate)‐grafted FA and chitosan‐EPCH‐grafted FA revealed good antifungal effect onC. albicansandA. fumigatus, respectively. Most FA polymer conjugates showed significant antitumor activity against EAC‐bearing mice. Among these conjugates, chitosan chloroacetate‐grafted FA (P‐2A) showed the highest antitumor effect against EAC‐bearing mice via reduction in total tumor volume. Thus, these conjugates provided enhanced antifungal and antitumor activities as compared with FA itself. These conjugates may act as promising biologically active carrier systems for other applications such as drug delivery.
Did doubly uniparental inheritance (DUI) of mtDNA originate as a cytoplasmic male sterility (CMS) system?
Authors: Breton Sophie , Stewart Donald T. , Brémaud Julie , Havird Justin C. , Smith Chase H. , Hoeh Walter R. 
Published: February 2022

AbstractAnimal and plant species exhibit an astonishing diversity of sexual systems, including environmental and genetic determinants of sex, with the latter including genetic material in the mitochondrial genome. In several hermaphroditic plants for example, sex is determined by an interaction between mitochondrial cytoplasmic male sterility (CMS) genes and nuclear restorer genes. Specifically, CMS involves aberrant mitochondrial genes that prevent pollen development and specific nuclear genes that restore it, leading to a mixture of female (male‐sterile) and hermaphroditic individuals in the population (gynodioecy). Such a mitochondrial‐nuclear sex determination system is thought to be rare outside plants. Here, we present one possible case of CMS in animals. We hypothesize that the only exception to the strict maternal mtDNA inheritance in animals, the doubly uniparental inheritance (DUI) system in bivalves, might have originated as a mitochondrial‐nuclear sex‐determination system. We document and explore similarities that exist between DUI and CMS, and we propose various ways to test our hypothesis.
The emerging driving force of inclusive green growth: Does digital economy agglomeration work?
Authors: Ren Shuming , Li Lianqing , Han Yueqi , Hao Yu , Wu Haitao 
Published: February 2022

AbstractInclusive green growth, which considers green growth, inclusive growth and growth, is a sustainable development model that aims to pursue the comprehensive and harmonious growth of humans, the economy, society, and the environment. Against the backdrop of the pandemic as well as sluggish economic development, the global economy is endowed with a driving mission that may affect inclusive green growth. This research primarily discusses the influence of digital economy agglomeration on inclusive green growth and its transmission mechanism in China. Specifically, the slacks‐based measure of directional distance functions (SBM‐DDF) model was integrated with the global Malmquist–Luenberger index (GML) to calculate inclusive green growth at the city level for 282 cities in China during 2004–2019. A measurement system for the digital economy level was constructed, and the degree of digital economy agglomeration in each region was further measured through geographic concentration. Based on these analyses, this research points out that digital economy agglomeration exerts a positive influence on inclusive green growth. The transmission mechanism analysis indicates that inclusive green growth is influenced by digital economy agglomeration through energy consumption, environmental pollution, economic growth, human capital, industrial structure, and technological progress. Moreover, taking the “Broadband China” pilot policy as the starting point, a spatial difference‐in‐differences (SDID) model was used to analyze the policy effect. The results suggest that the “Broadband China” policy is conducive to enhancing local inclusive green growth, while it inhibits inclusive green growth in neighboring cities.
Isolation and Identification of Acylphloroglucinols in the Medicinal Plant,Melaleuca alternifolia(Australian Tea Tree)
Authors: Schafer Janelle J. , Southwell Ian A. , Liu Lei 
Published: February 2022

AbstractMelaleuca alternifolia(tea tree), family Myrtaceae, is endemic to the northern rivers of NSW, Australia. Since 1925, the volatile components of the hydro‐ and steam‐distilled oils of the leaves have been studied in detail. However, the less‐volatile compounds have not been investigated. Using an ethanolic extract of the seedling leaves, the non‐volatile components were studied using gas chromatography‐mass spectrometry (GC/MS) and liquid chromatography‐ mass spectrometry (LC/MS). Four of these less‐volatile components were isolated by preparative‐HPLC from young seedling leaves and identified as the acylphloroglucinols 1‐(2,6‐dihydroxy‐4‐methoxy‐3‐methylphenyl)‐2‐methylpropan‐1‐one, callisalignone A, 1‐(2,6‐dihydroxy‐4‐methoxyphenyl)‐3‐methylbutan‐1‐one and pulverulentone B described here for the first time fromM. alternifolia. These compounds change in concentration in the leaf sets as later seedling leaves mature on the seedling.
Covalent Allosteric Inhibitors of Akt Generated Using a Click Fragment Approach
Authors: van der Westhuizen Leandi , Weisner Jörn , Taher Abu , Landel Ina , Quambusch Lena , Lindemann Marius , Uhlenbrock Niklas , Müller Matthias P. , Green Ivan R. , Pelly Stephen C. , Rauh Daniel , van Otterlo Willem A. L. 
Published: February 2022

AbstractAkt is a protein kinase that has been implicated in the progression of cancerous tumours. A number of covalent allosteric Akt inhibitors are known, and based on these scaffolds, a small library of novel potential covalent allosteric imidazopyridine‐based inhibitors was designed. The envisaged compounds were synthesised, with click chemistry enabling a modular approach to a number of the target compounds. The binding modes, potencies and antiproliferative activities of these synthesised compounds were explored, thereby furthering the structure activity relationship knowledge of this class of Akt inhibitors. Three novel covalent inhibitors were identified, exhibiting moderate activity against Akt1 and various cancer cell lines, potentially paving the way for future covalent allosteric inhibitors with improved properties.
Improving the accessibility of NUMA‐aware C++ application development based on the PGASUS framework
Authors: Plauth Max , Eberhardt Felix , Grapentin Andreas , Polze Andreas 
Published: February 2022

AbstractCertain workloads such asin‐memory databasesare inherently hard to scale‐out and rely on cache‐coherent scale‐up non‐uniform memory access (NUMA) systems to keep up with the ever‐increasing demand for compute resources. However, many parallel programming frameworks such as OpenMP do not make efficient use of large scale‐up NUMA systems as they do not consider data locality sufficiently. In this work, we presentPGASUS, a C++ framework for NUMA‐aware application development that provides integrated facilities for NUMA‐aware task parallelism and data placement. The framework is based on an extensive review of parallel programming languages and frameworks to incorporate the best practices of the field. In a comprehensive evaluation, we demonstrate thatPGASUSprovides average performance improvements of and peak performance improvements of up to across a wide range of workloads.
A survey on energy‐efficient resource allocation schemes in device‐to‐device communication
Authors: Kumar Jadav Nilesh , Gupta Rajesh , Tanwar Sudeep 
Published: February 2022

SummaryDevice‐to‐device (D2D) communication is an emanating and robust technology for next‐generation wireless networks. It aims to minimize load from the centralized base station (BS) and lets the device communicate directly in the presence or absence of it. Further, to increase the spectral efficiency, it operates in an underlay mode, where D2D devices/users reuse the spectrum of cellular users (CUs), resulting in unusual intercell/intracell interferences. Managing resources efficiently can drastically reduce the effect of interference but on the cost of high energy consumption. The research community is diligently studying the optimal methods for energy‐efficient resource allocation in D2D systems. As per the literature, there exists no comprehensive survey that studied the existing energy‐efficient resource allocation schemes in the D2D environment. Motivated from this, we present a survey on recently adopted solutions for energy‐efficient power, channel, and spectrum allocation in D2D communication, which includes artificial intelligence (AI), optimization, dynamic programming, heuristic approach, game theory, and graph models. In addition, we also highlighted the open research issues and technical challenges while allocating resources to D2D users (DUs).
Drought exposure leads to rapid acquisition and inheritance of herbicide resistance in the weed Alopecurus myosuroides
Authors: Mohammad Vian H. , Osborne Colin P. , Freckleton Robert P. 
Published: February 2022

AbstractGlobally, herbicide resistance in weeds poses a threat to food security. Resistance evolves rapidly through the co‐option of a suite of physiological mechanisms that evolved to allow plants to survive environmental stress. Consequently, we hypothesize that stress tolerance and herbicide resistance are functionally linked. We address two questions: (i) does exposure to stress in a parental generation promote the evolution of resistance in the offspring? (ii) Is such evolution mediated through non‐genetic mechanisms? We exposed individuals of a grass weed to drought, and tested whether this resulted in herbicide resistance in the first generation. In terms of both survival and dry mass, we find enhanced resistance to herbicide in the offspring of parents that had been exposed to drought. Our results suggest that exposure of weeds to drought can confer herbicide resistance in subsequent generations, and that the mechanism conferring heritability of herbicide resistance is non‐genetic.
Unconformity‐covering pillow lava dated at 2.14 Ga: Challenging the “stable‐shelf” Minas Supergroup of the Quadrilátero Ferrífero, Minas Gerais, Brazil
Authors: Cabral Alexandre Raphael , Zeh Armin , Pires Fernando Roberto Mendes , da Silva Jefferson Ferreira , do Carmo Vitalino Elizeu Ferreira , Tupinambá Miguel 
Published: February 2022

We report on the occurrence of pillow lava in the upper part of the banded‐iron‐formation (BIF) sequence of the Quadrilátero Ferrífero, famous for hosting world‐class iron‐ore deposits in Minas Gerais, Brazil. A pillow‐lava domain is found as an outlier within the BIF sequence, known as the Itabira iron formation or the Itabira Group. The pillow lava occurs as lateritized, indurated crusts in a sequence of ochreous itabirite, the weathered expression of dolomitic itabirite, a metamorphosed BIF rock containing dolomite. About 90 zircon grains, extracted from two samples of lateritized pillow lava, an indurated pillow rim and a friable pillow core, yielded Archaean to Palaeoproterozoic ages between 3.37 and 2.14 Ga, with age clusters at 2.98, 2.72, 2.25, and 2.14 Ga, and minor clusters at 3.37, 3.26, 3.16, and 2.82 Ga. The youngest grains, all exhibiting perfectly euhedral crystals, defined a Concordia age at 2,141 ± 6 Ma, interpreted as the age of subaqueous volcanism. This young zircon age and the perfectly euhedral zircon crystals suggest that the pillow‐lava domain represents an outlier of Palaeoproterozoic volcanic rocks, which covered the unconformity between the Itabira Group and the overlying Piracicaba Group. The finding of pillow lava lends support to previous, but usually ignored works, which described metavolcanic rocks in spatial association with the Itabira Group, and provides evidence for subaqueous volcanism that challenges the prevailing view of a stable‐shelf or passive‐margin setting for the geological evolution of the Minas Supergroup.
Detrital zircon provenance of metasedimentary rocks in the Proterozoic Caiziyuan‐Tongan accretionary complex: Constraints on crustal and tectonic evolution of the Yangtze Block, South China
Authors: Cui Xiaozhuang , Ren Guangming , Pang Weihua , Chen Fenglin , Sun Zhiming , Ren Fei , Ning Kuobu , Deng Qi 
Published: February 2022

Detrital zircon U–Pb ages and Lu–Hf isotopes of three metasandstone samples from the recently identified Caiziyuan‐Tongan accretionary complex (CTAC) in the southwestern Yangtze Block are presented. The detrital zircons are characterized by high Th/U ratios, oscillatory zoning, and nonabrasive crystal shapes, implying that these metasandstones in the CTAC were dominantly derived from proximal magmatic sources. The detrital zircon age spectrum shows three prominent intervals of 2.8–2.6 Ga, 2.5–2.2 Ga, and 2.1–1.7 Ga with minor dispersions between 3.8 and 2.9 Ga, matching well with those of the exposed magmatic rocks in the Yangtze Block. Two samples show consistent youngest age peaks at ~1.72 Ga, but the remaining sample has the youngest age peak at ~1.56 Ga, indicative of their differences in depositional ages. The Eoarchean zircons have negative εHf(t) values with Hadean depleted mantle two‐stage (TDM2) model ages, indicating the earliest crustal growth of the Yangtze Block in the Hadean. The Mesoarchean to Neoarchean zircons show both negative and positive εHf(t) values, suggesting a prolonged and complicated crustal reworking and growth process. By contrast, the Paleoproterozoic zircons have dominantly negative εHf(t) values, suggestive of extensive crustal reworking in response to the Nuna supercontinent assembly. Available detrital zircon TDM2 model ages from the southwestern Yangtze Block produce three prominent peaks at ~3.06 Ga, ~2.95 Ga, and ~2.84 Ga, suggesting significant crustal growth pulses in the Mesoarchean. Given that the ~1.38 Ga Caiziyuan SSZ‐type ophiolitic mélange and the complex tectonothermal evolution process, we deduce that the CTAC belt may represent a relict suture zone between micro‐blocks in the Yangtze Block and may have witnessed the Nuna breakup and subsequent Rodinia assembly.
Interneuron diversity in the rat dentate gyrus: An unbiased in vitro classification
Authors: Degro Claudius E. , Bolduan Felix , Vida Imre , Booker Sam A. 
Published: February 2022

AbstractInformation processing in cortical circuits, including the hippocampus, relies on the dynamic control of neuronal activity by GABAergic interneurons (INs). INs form a heterogenous population with defined types displaying distinct morphological, molecular, and physiological characteristics. In the major input region of the hippocampus, the dentate gyrus (DG), a number of IN types have been described which provide synaptic inhibition to distinct compartments of excitatory principal cells (PrCs) and other INs. In this study, we perform an unbiased classification of GABAergic INs in the DG by combining in vitro whole‐cell patch‐clamp recordings, intracellular labeling, morphological analysis, and unsupervised cluster analysis to better define IN type diversity in this region. This analysis reveals that DG INs divide into at least 13 distinct morpho‐physiological types which reflect the complexity of the local IN network and serve as a basis for further network analyses.