bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reactivity of Methane and Benzene over Metal/MFI Zeolite Analyzed with Temperature‐Programmed Reaction Technique
Authors: Nakamura Koshiro , Okumura Kazu , Tsuji Etsushi , Suganuma Satoshi , Katada Naonobu 
Published: January 2020

AbstractReactivity of methane and benzene over various metals supported on MFI zeolite was investigated in a wide range of temperature by a temperature‐programmed reaction method. The oxidation state was also analyzed, as supported by X‐ray absorption near edge structure (XANES). Pt, Rh, and Rh on MFI were reduced at <600 K, and showed high activity for both benzene methylation and methane dehydrogenation, and hence, low selectivity for the methylation at high temperature. The short catalyst life of Pt/MFI suggests deactivation due to carbonaceous produced by the dehydrogenation. The oxidation state of Co species on ion exchange site of MFI was kept at +II in the experimental range (<843 K), and relatively high selectivity was observed on Co/MFI even at high temperature. Stable oxidized state of Co species thus contributed to catalyze the target reaction (methylation of benzene with methane).
Photophysical Switching between Aggregation‐Induced Phosphorescence and Dual‐State Emission by Isomeric Substitution
Authors: Xi Wenbin , Yu Junru , Wei Mengru , Qiu Qianqian , Xu Pengfei , Qian Zhaosheng , Feng Hui 
Published: January 2020

AbstractIt is attractive but highly challenging to achieve controllable regulation of photophysical properties of pure organic luminogens, due to distinct work mechanisms and molecular structures. Here, a strategy to regulate in a controllable way the emission behavior of luminogens is reported, according to which long‐lived aggregation‐induced emission (AIE) can be switched to short‐lived dual‐state emission (DSE) by an isomer‐based substitution reaction. Three luminogens with sharply different photophysical behaviors, including aggregation‐induced phosphorescence and dual‐state fluorescence emission, were obtained through a substitution reaction with three isomers. Freely rotating structures are attributed to aggregation‐induced phosphorescence behavior, whereas twisted rigidification of the molecule greatly contributes to its dual‐state emission phenomenon. This work contributes to the controlled regulation of photophysical behaviors through simple reactions and provides a solid evidence to support the key role of the prohibition of intramolecular rotation in aggregation‐induced emission process and molecular design of dual‐state emitters.
Formal C−H Carboxylation of Unactivated Arenes
Authors: Gevorgyan Ashot , Hopmann Kathrin H. , Bayer Annette 
Published: January 2020

AbstractA formal C−H carboxylation of unactivated arenes using CO2 in green solvents is described. The present strategy combines a sterically controlled Ir‐catalyzed C−H borylation followed by a Cu‐catalyzed carboxylation of the in situ generated organoboronates. The reaction is highly regioselective for the C−H carboxylation of 1,3‐disubstituted and 1,2,3‐trisubstituted benzenes, 1,2‐ or 1,4‐symmetrically substituted benzenes, fluorinated benzenes and different heterocycles. The developed methodology was applied to the late‐stage C−H carboxylation of commercial drugs and ligands.
Experimental methods in chemical engineering: Residence time distribution—RTD
Authors: Bérard Ariane , Blais Bruno , Patience Gregory S. 
Published: January 2020

AbstractReactor performance, solids‐(gas)‐mixing, flow through porous media, distillation columns, or through granulators improve as the fluid dynamics approach ideal plug flow. The residence time distribution (RTD) is a diagnostic measure of how close fluid flow approaches ideal conditions. The technique introduces a step change to the inlet concentration—a Dirac‐δ function, Heaviside step function, or a rectangular pulse (bolus)—while high frequency detectors monitor the concentration along the vessel and/or at the exit. The effluent concentration profile spreads due to the variance in the process lines leading to the vessel and at the exit, the detector response, and the system. We quantify how much each of these contributes to the overall variance in a fluidized bed with 9 g of fluid cracking catalyst in 8 mm diameter quartz tubes. The injection variance is lowest for a GC sample loop configuration, compared to a 3‐way valve or 4‐way valve geometry. RTD measurements detect bypassing due to dead zones in vessels and the axial‐dispersion model and continuous stirred‐tank model to characterize deviation from plug flow. However, when the contribution to variance from the ancillary lines and detector is large compared to the system, the uncertainty in the model parameters is high. Research on RTD fundamentals concentrate on boundary conditions while, here, we focus on experimental errors: mechanical, physicochemical mathematical, and instrumental.
Cross‐modal modulation of cell activity by sound in first‐order visual thalamic nucleus
Authors: Kimura Akihisa 
Published: January 2020

AbstractCross‐modal auditory influence on cell activity in the primary visual cortex emerging at short latencies raises the possibility that the first‐order visual thalamic nucleus, which is considered dedicated to unimodal visual processing, could contribute to cross‐modal sensory processing, as has been indicated in the auditory and somatosensory systems. To test this hypothesis, the effects of sound stimulation on visual cell activity in the dorsal lateral geniculate nucleus were examined in anesthetized rats, using juxta‐cellular recording and labeling techniques. Visual responses evoked by light (white LED) were modulated by sound (noise burst) given simultaneously or 50–400 ms after the light, even though sound stimuli alone did not evoke cell activity. Alterations of visual response were observed in 71% of cells (57/80) with regard to response magnitude, latency, and/or burst spiking. Suppression predominated in response magnitude modulation, but de novo responses were also induced by combined stimulation. Sound affected not only onset responses but also late responses. Late responses were modulated by sound given before or after onset responses. Further, visual responses evoked by the second light stimulation of a double flash with a 150–700 ms interval were also modulated by sound given together with the first light stimulation. In morphological analysis of labeled cells projection cells comparable to X‐, Y‐, and W‐like cells and interneurons were all susceptible to auditory influence. These findings suggest that the first‐order visual thalamic nucleus incorporates auditory influence into parallel and complex thalamic visual processing for cross‐modal modulation of visual attention and perception.
CGIAR modeling approaches for resource‐constrained scenarios: II. Models for analyzing socioeconomic factors to improve policy recommendations
Authors: Kruseman Gideon , Bairagi Subir , Komarek Adam M. , Molero Milan Anabel , Nedumaran Swamikannu , Petsakos Athanasios , Prager Steven , Yigezu Yigezu A. 
Published: January 2020

AbstractInternational crop‐related research as conducted by the CGIAR uses crop modeling for a variety of purposes. By linking crop models with economic models and approaches, crop model outputs can be effectively used as inputs into socioeconomic modeling efforts for priority setting and policy advice using ex‐ante impact assessment of technologies and scenario analysis. This requires interdisciplinary collaboration and very often collaboration across a variety of research organizations. This study highlights the key topics, purposes, and approaches of socioeconomic analysis within the CGIAR related to cropping systems. Although each CGIAR center has a different mission, all CGIAR centers share a common strategy of striving toward a world free of hunger, poverty, and environmental degradation. This means research is mostly focused toward resource‐constrained smallholder farmers. The review covers global modeling efforts using the IMPACT model to farm household bio‐economic models for assessing the potential impact of new technologies on farming systems and livelihoods. Although the CGIAR addresses all aspects of food systems, the focus of this review is on crop commodities and the economic analysis linked to crop‐growth model results. This study, while not a comprehensive review, provides insights into the richness of the socioeconomic modeling endeavors within the CGIAR. The study highlights the need for interdisciplinary approaches to address the challenges this type of modeling faces.
Response characteristics of a beam‐mass system with general boundary conditions under compressive axial force and accelerating masses
Authors: Omolofe Babatope , Adara Emmanuel Olamide 
Published: January 2020

SummaryIn this study the problem of the dynamic characteristics of a structurally presstressed beam under compressive axial force and subjected to accelerating loads is investigated. A procedure based on Galerkin's residual method, asymptotic method of struble, and integral transformation method is developed to solve the fourth‐order partial differential equation with variable and singular coefficients governing the dynamic behavior exhibited by the beam‐mass system. The proposed solution procedure is very versatile and is suitable for handling moving mass beam problem for all pertinent boundary conditions. The theory and analysis proposed in this work are illustrated by various practical examples often encounter in engineering design and practice. Analytical solutions valid for all variants of classical boundary conditions are obtained for the beam‐load system. The effects of the traveling velocity of the moving mass, span length, and flexural rigidity on the response of the beam are investigated. A comparative analysis of the behavior of this structural member under accelerating, decelerating, and uniform velocity type of motion is performed. Various results in plotted curves are presented.
Occurrence and Spatial Distribution of Microplastics in the Surface Waters of Lake Naivasha, Kenya
Authors: Migwi Francis Kigera , Ogunah Joanne Atieno , Kiratu John Mburu 
Published: January 2020

Abstract
Microplastics are emerging threat contaminants that have been shown to provide toxic pollutants, either from the environment or from their inherent toxic monomers and additives, a pathway into the aquatic food web. In the present study, the occurrence, abundance, and composition of microplastic load in the surface water of Lake Naivasha (Kenya) was determined. The surface water physicochemical parameters were measured in situ; microplastic samples were collected using plankton net trawls and treated with H2O2 to decompose organic matter. The microplastic particles recovered were classified both by visual observation and by attenuated total reflection–Fourier transform infrared spectroscopy. The average microplastic concentration range in surface water was 0.183 ± 0.017 to 0.633 ± 0.067 particles/m2, with the mean concentration being 0.407 ± 0.135 particles/m2. Fragments, fibers, and films were identified and were mostly composed of polypropylene, polyethylene, and polyester. We also performed correlational analysis, which showed a strong positive association between microplastic quantity and turbidity, total nitrogen, and total phosphorus in the lake. The high variability in microplastic densities exhibited between the sampled locations was attributed to human activities, water and wastewater intake through rivers and tributaries, and the presence of local wind patterns responsible for the general water circulation. Our assessment adds to the growing documentation of microplastic presence in freshwater ecosystems, and provides a baseline for future monitoring and assessment in sediment and biota of Lake Naivasha and other Kenyan freshwater systems. Environ Toxicol Chem 2020;39:765–774. © 2020 SETAC
A Pragmatic Device Based on a Double‐Sided Functional Structure for Efficient Water Harvesting
Authors: Chen Mingxue , Yi Zilin , Tao Shuang , Wang Shiyu , Fang Zhenggang , Lu Chunhua , Xu Zhongzi 
Published: January 2020

AbstractWater collection from fog has received much attention to meet the challenges of scarcity of clean drinking water in desert and arid regions. Currently, solar‐thermal technology is being used as an efficient, sustainable, and low‐cost method for water desalination to produce clean water. To collect the clean water, in recent years, most researchers have designed the structure of water collection surfaces. However, the heat released during the liquefaction process of droplets has an adverse effect on the condensation of droplets, and thus affecting the water collection efficiency. Here, in order to improve water collection efficiency, a radiative cooling layer is introduced on the back of the collection surface to dissipate the heat released during droplet liquefaction. The radiative cooling layer, consisting of poly(vinylidene fluoride‐co‐hexafluoropropene) embedded with SiO2 and CaMoO4 nanoparticles, can theoretically cool 18.1 °C below the ambient temperature in the daytime. With the addition of cooling coating on the back of the water collection surface, the water harvesting efficiency can be increased by 43–52%. The developed water harvesting device may provide a new pathway to the efficient collection of fresh water.
Anatomically‐based transoral surgical approach to early‐stage oral tongue squamous cell carcinoma
Authors: Calabrese Luca , Pietrobon Giacomo , Fazio Enrico , Abousiam Monir , Awny Shadi , Bruschini Roberto , Accorona Remo 
Published: January 2020

AbstractThe mainstream of treatment of early‐stage oral tongue squamous cell carcinoma (OTSCC) is represented by transoral resection with “adequate” free margins. Despite that, a precise and shared definition of “adequate margin” is lacking, and so is a standardized transoral surgical technique.The tongue is a symmetrically paired organ, consisting of intertwining intrinsic and extrinsic muscles, which can be distinguished during dissection. Routes of tumoral spread in oral tongue cancer are well‐known and should be taken into account during resection. We propose herein a standardized and replicable surgical technique to resect early‐stage OTSCC, based on rational anatomical considerations.
Structural binding interactions of tetrabromobisphenol A with sex steroid nuclear receptors and sex hormone‐binding globulin
Authors: Sheikh Ishfaq A. , Beg Mohd A. 
Published: January 2020

AbstractTetrabromobisphenol A (TBBPA) is a widely used brominated flame retardant owing to its efficient fire‐breaking property. However, leaching of TBBPA into the environment has been a global health concern due to the endocrine‐disrupting activity (EDA) associated with TBBPA exposure. Limited studies are available on the hazardous effects of TBBPA on reproductive function. The aim of the present study was the structural characterization of potential EDA of TBBPA in reproductive hormone signaling and transport including steroid nuclear receptors, such as estrogen receptor alpha (ERα), estrogen receptor beta (ERβ), androgen receptor (AR), progesterone receptor (PR), and the steroid transport protein, sex hormone‐binding globulin (SHBG). The structural binding characterization of TBBPA with the sex steroid nuclear receptors and transport protein was performed by induced‐fit docking using the Schrödinger 2017 suite. The results revealed that the TBBPA binding pattern and molecular interactions with the indicated receptors and transport protein displayed overall similarity with their respective native ligands. The estimated binding energy value of TBBPA for ERα was similar to the native ligand, estradiol, indicating tight binding and greater potential for TBBPA to disrupt ERα signaling. For ERβ, AR, PR and SHBG, the estimated binding energy values were also close to their respective native ligands, indicating potential for interference in native hormone signaling and transport. In conclusion, TBBPA exposure in humans may potentially cause disruption of sex steroid signaling and transport, and thus lead to reproductive dysfunction.
Extended Koopmans' theorem at the second‐order perturbation theory
Authors: Gu Yonghao , Xu Xin 
Published: January 2020

AbstractThe extended Koopmans' theorem (EKT), when combined with the second‐order Møller−Plesset (MP2) perturbation theory through the relaxed density matrix approach [J. Cioslowski, P. Piskorz, and G. Liu, J. Chem. Phys. 1997, 107, 6,804], provides a straightforward way to calculate the ionization potentials (IPs) as an one electron quantity. However, such an EKT‐MP2 method often suffers from the negative occupation problem, failing to provide the complete IP spectra for a system of interest. Here a small positive number scheme is proposed to cure this problem so as to remove the associated unphysical results. In order to obtain an in‐depth physical interpretation of the EKT‐MP2 method, we introduce a Koopmans‐type quantity, named KT‐MP2, based on which the respective contribution from the relaxation and the correlation parts in the EKT‐MP2 results are recognized. Furthermore, the close relationship between the EKT‐MP2 method and the derivative approach of the MP2 energy with respect to the orbital occupation numbers [N. Q. Su and X. Xu, J. Chem. Theory Comput. 2015, 11, 4,677] is revealed. When these MP2‐based methods are applied to a set of atoms and molecules, new insights are gained on the role played by the relaxation and the correlation effects in the electron ionization processes.
Synthesis, antimicrobial and antioxidant activity of bis sulfonamide/carbamate derivatives of bis‐(4‐aminophenyl) methane
Authors: Nagalakshmamma Vadabingi , Varalakshmi Mavallur , Umapriya Kollu , Venkataswamy Mallepogu , Venkataramaiah Chintha , Thyaga Raju Kedam , Chalapathi Ponne Venkata , NagaRaju Chamarthi 
Published: January 2020

AbstractA series of new bis sulfonamide/carbamate derivatives of bis‐(4‐aminophenyl)methane 3(a–d)/5(a–f) were synthesized from bis‐(4‐aminophenyl)methane (1) using various pharmacologically active sulfonyl chlorides 2(a–d) and carbonochloridates 4(a–f) in high yields. The structures of all the newly synthesized compounds were characterized by the Infrared spectroscopy, NMR (1H and 13C), mass, and elemental analyses. Further, all the synthesized compounds were tested for the antioxidant activity by using 2, 2‐diphenyl‐1‐picrylhydrazyl, NO, and H2O2 scavenging methods and antimicrobial activity. Most of the compounds exhibited good antioxidant and antimicrobial activities.
The use of social media by Australian preadolescents and its links with mental health
Authors: Fardouly Jasmine , Magson Natasha R. , Rapee Ronald M. , Johnco Carly J. , Oar Ella L. 
Published: January 2020

AbstractObjectivesPreadolescent social media use is normative and could influence mental health. This study investigated: (a) Differences between preadolescent users and non‐users of various social media platforms on mental health, (b) unique links between time spent on those platforms, appearance‐based activities on social media, and mental health, and (c) the moderating role of biological sex on those relationships.MethodPreadolescent youth (N = 528; 50.9% male) completed online surveys.ResultsUsers of YouTube, Instagram, and Snapchat reported more body image concerns and eating pathology than non‐users, but did not differ on depressive symptoms or social anxiety. Appearance investment uniquely predicted depressive symptoms. Appearance comparisons uniquely predicted all aspects of mental health, with some associations stronger for females than males.ConclusionsPreadolescents could be encouraged to reduce their opportunities to make appearance comparisons and to invest less in their appearance on social media. Preadolescents may benefit from social media intervention programs.
MicroRNA‐182 supplies negative feedback regulation to ameliorate lipopolysaccharide‐induced ALI in mice by targeting TLR4
Authors: Yang Jing , Chen Yu , Jiang Kangfeng , Zhao Gan , Guo Shuai , Liu Junfeng , Yang Yaping , Deng Ganzhen 
Published: January 2020

AbstractAcute lung injury (ALI), characterized by increased excessive pulmonary inflammation, is a pervasive inflammatory disease with clinically high incidence. MicroRNA (miRNAs) have been associated with the progression of multiple diseases and are regarded as novel regulators of inflammation. However, it remains largely unknown whether the miRNAs‐mediated regulatory mechanism has an effect on lipopolysaccharide (LPS)‐induced inflammation in ALI. We discovered that miR‐182 distinctly lessened expression in the lung tissue of mice with ALI and macrophages stimulated by LPS. We also found that overexpression of miR‐182 significantly cut down the secretion of inflammatory cytokines, while this change was reversed by inhibition of miR‐182. In addition, miR‐182 suppressed the activation of NF‐κB by targeting TLR4 expression. And it was confirmed that miR‐182 directly regulated TLR4 expression at the posttranscriptional level by binding to the 3′‐UTR of TLR4. Together, these data suggested that inhibition of TLR4 expression assuaged LPS‐stimulated inflammation through negative feedback regulation of miR‐182.
Bta‐miR‐149‐5p inhibits proliferation and differentiation of bovine adipocytes through targeting CRTCs at both transcriptional and posttranscriptional levels
Authors: Khan Rajwali , Raza Sayed Haidar Abbas , Junjvlieke Zainaguli , Wang Xiaoyu , Wang Hongbao , Cheng Gong , Mei Chugang , Elsaeid Elnour Ibrahim , Zan Linsen 
Published: January 2020

AbstractMicroRNAs are small, single stranded, and noncoding RNAs that have been proven to be potent regulators of adipogenesis. However, the role of bta‐miR‐149‐5p in regulating bovine adipogenesis is still unclear. Expression profiling in different stages of adipogenesis revealed that bta‐miR‐149‐5p was enriched in the proliferation stage, and also on Day 9 of differentiation in bovine adipocytes. Our gain of function study showed that bta‐miR‐149‐5p can negatively regulate both bovine adipocyte proliferation and differentiation. Overexpression of bta‐miR‐149‐5p suppressed the expression of proliferation marker genes at both the messenger RNA (mRNA) and protein levels, markedly decreased the percentage of S‐phase cells, decreased the number of EdU‐stained cells, and substantially reduced adipocyte proliferation vitality in the cell count assay. Collectively, these findings elucidated that bta‐miR‐149‐5p inhibits adipocyte proliferation. Furthermore, overexpression of bta‐miR‐149‐5p also suppressed the expression of adipogenic genes at both the mRNA and protein levels, inhibited lipid accumulation, and reduced the secretion of adiponectin in bovine adipocytes. Furthermore, a luciferase activity assay explored how bta‐miR‐149‐5p targeted CRTCs (CRTC1 and CRTC2) directly. This targeting was further validated by the mRNA and protein level expression of CRTC1 and CRTC2, which were down regulated by bta‐miR‐149‐5p overexpression. Moreover, bta‐miR‐149‐5p indirectly targeted CRTC1 and CRTC2 through regulating their key transcription factors. Overexpression of bta‐miR‐149‐5p suppressed the expression of SMAD3, while enriched the expression of NRF1, which are the key transcription factors and proven regulators of CRTC1. Overexpression of bta‐miR‐149‐5p also repressed the expression of C/EBPγ, XBP1, INSM1, and ZNF263, which are the key regulators of CRTCs, at both the mRNA and protein levels. These findings suggest that bta‐miR‐149‐5p is a negative regulator of CRTC1 and CRTC2 both at transcriptional and posttranscriptional level. Taken together, these findings suggest that bta‐miR‐149‐5p can regulate adipogenesis, which implies that bta‐miR‐149‐5p could be a target for increasing intramuscular fat in beef cattle.