bluuebunny/crossref_metadata_2025_split huggingface dataset:
Area‐Selective Growth of HfS2 Thin Films via Atomic Layer Deposition at Low Temperature
Authors: Cao Yuanyuan , Wähler Tobias , Park Hyoungwon , Will Johannes , Prihoda Annemarie , Moses Badlyan Narine , Fromm Lukas , Yokosawa Tadahiro , Wang Bingzhe , Guldi Dirk M. , Görling Andreas , Maultzsch Janina , Unruh Tobias , Spiecker Erdmann , Halik Marcus , Libuda Jörg , Bachmann Julien 
Published: October 2020

AbstractThe transition‐metal dichalcogenide HfS2 is a promising alternative semiconductor with adequate band gap and high carrier mobility. However, a controllable growth of continuous HfS2 films with selectivity for specific surfaces at a low temperature on a large scale has not been demonstrated yet. Herein, HfS2 films are grown at 100 °C by atomic layer deposition (ALD) based on the precursors tetrakis(dimethylamido)hafnium and H2S. In situ vibrational spectroscopy allows for the definition of the temperature range over which (Me2N)4Hf chemisorbs as one monolayer. In that range, sequential exposures of the solid surface with (Me2N)4Hf and H2S result in self‐limiting reactions that yield alternating surface termination with dimethylamide and thiol. Repeating the cycle grows smooth, continuous, stoichiometric films of thicknesses adjustable from angstroms to >100 nm, as demonstrated by spectroscopic ellipsometry, XRR, AFM, UV–vis and Raman spectroscopy, XPS, and TEM. The well‐defined surface chemistry enables one to deposit HfS2 selectively using, for example, patterns generated in molecular self‐assembled monolayers. This novel ALD reaction combines several attractive features necessary for integrating HfS2 into devices.
Soil‐test biological activity with short‐term and long‐term carbon contributions
Authors: Franzluebbers Alan J. , Assmann Tangriani S. 
Published: October 2020

AbstractSoil‐test biological activity (STBA) is a key indicator of soil health because of its relevance to ecosystem processing, broad applicability, and simple and rapid analysis. Short‐term and long‐term influences of carbon (C) availability on STBA were assessed. A short‐term factor was root‐derived C inputs from a sudangrass (Sorghum × drummondii) test crop grown under greenhouse conditions. Long‐term factors were from soil at two depths in three sections of a field varying in soil texture and exposed to 16 yr of different pasture–crop rotation management. Soil‐test biological activity was determined after 0, 14, 21, 31, and 45 d of greenhouse growth. Total variation in STBA was 7% from the short‐term factor and 81% from the long‐term factors. Soil depth was the primary long‐term factor influencing STBA (57%) and soil texture was intermediate (24%). Results indicate that short‐term changes in STBA are important but modest compared with variations due to soil depth and texture.
pH‐Responsive Torpedo‐Like Persistent Luminescence Nanoparticles for Autofluorescence‐Free Biosensing and High‐Level Information Encryption
Authors: Li Juan , Huang Xiaolin , Zhao Xu , Chen Li‐Jian , Yan Xiu‐Ping 
Published: October 2020

AbstractPersistent luminescent nanoparticles (PLNPs) with intrinsic stimuli‐responsive properties are desirable because of no autofluorescence background and natural responsive luminescence. However, the stimuli‐responsive features of pure PLNPs have been unexplored. Here we show a facile one‐pot hydrothermal synthesis of green‐emitting Zn2GeO4:Mn2+,Pr3+ nanoparticles (ZGMP) with regular shape, uniform size and good afterglow luminescent performance. We also report the pH stimuli‐responsive luminescent behavior of ZGMP and its possible mechanism. Taking the intriguing feature of pH responsive persistent luminescence, we explore ZGMP as autofluorescence‐free probes to achieve stimuli‐activated signal switch for biosensing by integrating enzyme catalysis reaction mediated pH modulation. The pH‐responsive persistent luminescence also makes ZGMP promising for high‐level information encryption.
Design, synthesis, molecular docking, anticancer evaluations, and in silico pharmacokinetic studies of novel 5‐[(4‐chloro/2,4‐dichloro)benzylidene]thiazolidine‐2,4‐dione derivatives as VEGFR‐2 inhibitors
Authors: El‐Adl Khaled , El‐Helby Abdel‐Ghany A. , Sakr Helmy , Ayyad Rezk R. , Mahdy Hazem A. , Nasser Mohamed , Abulkhair Hamada S. , El‐Hddad Sanadelaslam S. A. 
Published: October 2020

AbstractThe anticancer activity of novel thiazolidine‐2,4‐diones was evaluated against HepG2, HCT‐116, and MCF‐7 cells. MCF‐7 was the most sensitive cell line to the cytotoxicity of the new derivatives. In particular, compounds 18, 12, 17, and 16 were found to be the most potent derivatives over all the tested compounds against the cancer cell lines HepG2, HCT116, and MCF‐7, with IC50 = 9.16 ± 0.9, 8.98 ± 0.7, 5.49 ± 0.5 µM; 9.19 ± 0.5, 8.40 ± 0.7, 6.10 ± 0.4 µM; 10.78 ± 1.2, 8.87 ± 1.5, 7.08 ± 1.6 µM; and 10.87 ± 0.8, 9.05 ± 0.7, 7.32 ± 0.4 µM, respectively. Compounds 18 and 12 have nearly the same activities as sorafenib (IC50 = 9.18 ± 0.6, 5.47 ± 0.3, and 7.26 ± 0.3 µM, respectively), against HepG2 cells, but slightly lower activity against HCT116 cells and slightly higher activity against the MCF‐7 cancer cell line. Also, these compounds displayed lower activities than doxorubicin against HepG2 and HCT‐116 cells but higher activity against MCF‐7 cells (IC50 = 7.94 ± 0.6, 8.07 ± 0.8, and 6.75 ± 0.4 µM, respectively). In contrast, compounds 17 and 16 exhibited lower activities than sorafenib against HepG2 and HCT116 cells, but nearly equipotent activity against the MCF‐7 cancer cell line. Also, these compounds displayed lower activities than doxorubicin against the three cell lines. All the synthesized derivatives 7–18 were evaluated for their inhibitory activities against VEGFR‐2. The tested compounds displayed high to medium inhibitory activity, with IC50 values ranging from 0.17 ± 0.02 to 0.27 ± 0.03 µM. Compounds 18, 12, 17, and 16 potently inhibited VEGFR‐2 at IC50 values of 0.17 ± 0.02, 0.17 ± 0.02, 0.18 ± 0.02, and 0.18 ± 0.02 µM, respectively, which are nearly more than half of that of the IC50 value for sorafenib (0.10 ± 0.02 µM).
Resource allocation explains lactic acid production in mixed‐culture anaerobic fermentations
Authors: Regueira Alberte , Rombouts Julius. L. , Wahl S. Aljoscha , Mauricio‐Iglesias Miguel , Lema Juan M. , Kleerebezem Robbert 
Published: October 2020

AbstractLactate production in anaerobic carbohydrate fermentations with mixed cultures of microorganisms is generally observed only in very specific conditions: the reactor should be run discontinuously and peptides and B vitamins must be present in the culture medium as lactic acid bacteria (LAB) are typically auxotrophic for amino acids. State‐of‐the‐art anaerobic fermentation models assume that microorganisms optimise the adenosine triphosphate (ATP) yield on substrate and therefore they do not predict the less ATP efficient lactate production, which limits their application for designing lactate production in mixed‐culture fermentations. In this study, a metabolic model taking into account cellular resource allocation and limitation is proposed to predict and analyse under which conditions lactate production from glucose can be beneficial for microorganisms. The model uses a flux balances analysis approach incorporating additional constraints from the resource allocation theory and simulates glucose fermentation in a continuous reactor. This approach predicts lactate production is predicted at high dilution rates, provided that amino acids are in the culture medium. In minimal medium and lower dilution rates, mostly butyrate and no lactate is predicted. Auxotrophy for amino acids of LAB is identified to provide a competitive advantage in rich media because less resources need to be allocated for anabolic machinery and higher specific growth rates can be achieved. The Matlab™ codes required for performing the simulations presented in this study are available at https://doi.org/10.5281/zenodo.4031144.
Teaching concepts related to finite automata using ComVis
Authors: Jovanović Nenad , Miljković Dragiša , Stamenković Srećko , Jovanović Zoran , Chakraborty Pinaki 
Published: October 2020

AbstractThis paper describes educational software for visualization and finite automata simulation. The system was developed in Java programming language, and its main purpose is learning process improvement. Using this software, finite automata can be defined in a graphical editor in the form of a state diagram, or by defining the transition function using the transition table. Upon defining an automaton, it is possible to run a visual simulation of the automaton operation for an arbitrary input string, whereby a textual description of the automaton simulation is also obtained. Furthermore, the system allows for conversion of regular expressions to deterministic finite automata and nondeterministic finite automata. The simulation of Thompson's construction algorithm is implemented, so that transformation of a regular expression to the corresponding NFA can be monitored in a step‐by‐step process. The quantitative analysis and evaluation of the effectiveness of the simulator are based on a survey of undergraduate students at two universities. The majority of students found the tool a useful means for better understanding and mastering of finite automata concepts.
Renal Thrombotique microangiopathy: An unusual renal involvement in Niemann‐Pick disease type B
Authors: Jerbi Mouna , Sayhi Mariem , Gaied Hanene , Hedri Hafedh , Aoudia Raja , Goucha Rim , Abdallah Taieb Ben 
Published: October 2020

AbstractRenal involvement in Niemann‐Pick disease type B is very rare. Kidney check‐up and renal biopsy should be performed in any patient presented with hypertension and kidney disease. Histology identifies the lesion, the prognosis, and guide treatment.
Dynamic Helicates Self‐Assembly from Homo‐ and Heterotopic Dynamic Covalent Ligand Strands
Authors: Santoro Antonio , Holub Jan , Fik‐Jaskółka Marta A. , Vantomme Ghislaine , Lehn Jean‐Marie 
Published: October 2020

AbstractThe understanding and the application of reversible covalent reactions and coordination chemistry together with the proper design of the molecular frameworks, allow to achieve not only well‐defined output architectures but also different grades of complex behavior. In this work, the dynamic nature of the helical systems offers an additional level of complexity by combining self‐sorting on two levels: 1) the build‐up of the ligand strand constituents from their components through dynamic covalent chemistry; 2) the assembly of the helicates from the ligands and the metal cations through dynamic metallo‐supramolecular chemistry. The information encoded in the ligands constituent molecule was read differently (and accurately at the same time) by metal cations that varied in the coordination algorithms. It enabled the selective formation of a specific type of helicates from a wide library of helicates formed by the possible combination of subcomponents. Ligands containing dynamic tridentate and/or bidentate binding motifs in the same strand were studied to explore the helicates self‐assembly with appropriate metal cations.
Nestlike Silver(I) Thiolate Clusters with Tunable Emission Color Templated by Heteroanions
Authors: Shen Yang‐Lin , Jin Jun‐Ling , Duan Guang‐Xiong , Yu Peng‐Yuan , Xie Yun‐Peng , Lu Xing 
Published: October 2020

AbstractFour silver thiolate clusters, [H3O][(Ag3S3)(BF4)@Ag27(tBuS)18(hfac)6H2O]⋅H2O (1; hfac = hexafluoroacetylacetone), [(Ag3S3)(CF3CO2)@Ag30(tBuS)16(CF3CO2)9(CH3CN)4]⋅CF3CO2⋅4 CH3CN (2), [(Ag3S3)(MoO4)@Ag30(tBuS)16(CF3CO2)9(CH3CN)4]⋅2 CH3CN (3), and [(Ag3S3)(CrO4)@Ag30(tBuS)16(CF3CO2)9(CH3CN)4]⋅4 CH3CN (4), were isolated. They have similar nestlike structures assembled by an [Ag3S3]3− template together with one of the BF4−, CF3CO2−, MoO42−, or CrO42− anions. Interestingly, the solid‐state emissions of 2–4 are dependent on the templating anions and are tunable from green to orange and then to red by changing the template from CF3CO2− to MoO42− and to CrO42−, and this may be correlated to the charge transfer between these templates to metal atoms. This work helps to understand the templating role of heteroanions and the relationship between structure and properties.
Microfluidic Assisted Flash Precipitation of Photocrosslinkable Fluorescent Organic Nanoparticles for Fine Size Tuning and Enhanced Photoinduced Processes
Authors: Hoang Stéphane , Olivier Simon , Cuenot Stéphane , Montillet Agnès , Bellettre Jérôme , Ishow Eléna 
Published: October 2020

AbstractHighly concentrated dispersions of fluorescent organic nanoparticles (FONs), broadly used for optical tracking, bioimaging and drug delivery monitoring, are obtained using a newly designed micromixer chamber involving high impacting flows. Fine size tuning and narrow size distributions are easily obtained by varying independently the flow rates of the injected fluids and the concentration of the dye stock solution. The flash nanoprecipitation process employed herein is successfully applied to the fabrication of bicomposite FONs designed to allow energy transfer. Considerable enhancement of the emission signal of the energy acceptors is promoted and its origin is found to result from polarity rather than steric effects. Finally, we exploit the high spatial confinement encountered in FONs and their ability to encapsulate hydrophobic photosensitizers to induce photocrosslinking. An increase in the photocrosslinked FON stiffness is evidenced by measuring the elastic modulus at the nanoscale using atomic force microscopy. These results pave the way toward the straightforward fabrication of multifunctional and mechanically photoswitchable FONs, opening novel opportunities in sensing, multimodal imaging, and theranostics.
Distance‐Dependent Electron Transfer Kinetics in Axially Connected Silicon Phthalocyanine‐Fullerene Conjugates
Authors: Martín‐Gomis Luis , Seetharaman Sairaman , Herrero David , Karr Paul A. , Fernández‐Lázaro Fernando , D'Souza Francis , Sastre‐Santos Ángela 
Published: October 2020

AbstractThe front cover artwork is provided by the groups of Prof. Sastre‐Santos, Prof. D'Souza, and Prof. Karr. The effect of donor‐acceptor distance in governing the kinetics of electron transfer is demonstrated using different linkers between silicon phthalocyanines and C60. The cover shows the molecules playing soccer. Read the full text of the Article at 10.1002/cphc.202000578.
Electro‐photovoltaics of Polymer‐stabilized Copper–Indium Selenide Quantum Dot
Authors: Memela Muziwenkosi , Feleni Usisipho , Mdluli Siyabonga , Ramoroka Morongwa E. , Ekwere Precious , Douman Samantha , Iwuoha Emmanuel 
Published: October 2020

AbstractSemiconducting quantum dot (QD) materials formed by the combination of groups I, III and VI elements are perceived as promising green materials with excellent photovoltaic properties, owing to their near‐infrared (NIR) remarkable range and less harmful elements. In this study electroactive ∼7 nm copper indium selenide quantum dot (CuInSe2 QD) capped with generation 1 poly (propylene thiophene) dendrimer (G1PPT), was synthesised via the hot injection method. Fourier transform infrared spectroscopy (FT‐IR) signatures of the dendrimer confirmed the effective functionalization of CuInSe2 with G1PPT. Characteristic ultraviolet‐visible (UV‐Vis) absorption band at 784 nm and a Tauc plot band gap energy (Egd) value of 1.51 eV which indicates a very significant photovoltaic behaviour of the CuInSe2‐G1PPT QD. The cyclic voltammetrically‐deduced HOMO (‐5.140 eV) and LUMO (−3.537 eV) energy levels gave an electrochemical bandgap (
) value of 1.60 eV. The electron‐hole Coulomb interaction energy (
) was determined to be 90 MeV, which confirms that the light absorbed by CuInSe2‐G1PPT QD mainly produce photon absorption excitons, making the material highly suitable for photovoltaic application.
Boost productivity, decrease stress by engaging in authentic conversations
Authors: McCarthy Claudine 
Published: October 2020

Remote work, Zoom meetings, emails, texts, and social media can help you stay connected to career and family while limiting your exposure to the COVID‐19 virus, but they won't protect you from catching the loneliness bug triggered by limiting your exposure to chit‐chat. Even before the shutdown brought on by the COVID‐19 pandemic, “the world was already experiencing a loneliness epidemic,” according to Celeste Headlee, an award‐winning journalist, professional speaker, and author of Heard Mentality and We Need to Talk: How to Have Conversations That Matter. She spoke during a webinar hosted by NASPA: Student Affairs Administrators in Higher Education. “The human voice is healing,” she explained, and authentic interactions boost the immune systems of those involved.
Inverse functions for Monte Carlo simulations with applications to hitting time distributions
Authors: Ben‐David Avishai , Raghavan Raghu 
Published: October 2020

AbstractRandom sampling is a ubiquitous tool in simulations and modeling in a variety of applications. There are efficient algorithms for several known distributions, but in general, one must resort to computing or approximating the inverse of the distributions to generate random samples. In certain physical and biomedical applications with which we have been particularly concerned, it has proven to be more efficient to provide random times for a walk of a fixed length, rather than the conventional random step lengths in a given time step for the walker. For these, the hitting‐time distributions must be sampled, but the problem is that the distributions contain complicated expressions for which no efficient method exists to compute an inverse. In this article, we explore a well‐known probability (the F‐ratio distribution)—whose inverse is efficiently computable—as an alternative to generating look‐up tables and interpolations to obtain the required stochastic time samples. We transform the two‐parameter F‐distribution into a four‐parameter distribution and we match the first four moments of the distribution to the moments of the exact hitting‐time distribution. We find that this simple procedure approximates the hitting‐time distribution well and produces very small errors. Future Monte Carlo simulations in a number of fields of applications may benefit from our method.
Supramodal neural networks support top‐down processing of social signals
Authors: Sonderfeld Melina , Mathiak Klaus , Häring Gianna S. , Schmidt Sarah , Habel Ute , Gur Raquel , Klasen Martin 
Published: October 2020

AbstractThe perception of facial and vocal stimuli is driven by sensory input and cognitive top‐down influences. Important top‐down influences are attentional focus and supramodal social memory representations. The present study investigated the neural networks underlying these top‐down processes and their role in social stimulus classification. In a neuroimaging study with 45 healthy participants, we employed a social adaptation of the Implicit Association Test. Attentional focus was modified via the classification task, which compared two domains of social perception (emotion and gender), using the exactly same stimulus set. Supramodal memory representations were addressed via congruency of the target categories for the classification of auditory and visual social stimuli (voices and faces). Functional magnetic resonance imaging identified attention‐specific and supramodal networks. Emotion classification networks included bilateral anterior insula, pre‐supplementary motor area, and right inferior frontal gyrus. They were pure attention‐driven and independent from stimulus modality or congruency of the target concepts. No neural contribution of supramodal memory representations could be revealed for emotion classification. In contrast, gender classification relied on supramodal memory representations in rostral anterior cingulate and ventromedial prefrontal cortices. In summary, different domains of social perception involve different top‐down processes which take place in clearly distinguishable neural networks.
De‐dollarization in Zimbabwe: What lessons can be learned from other sub‐Saharan countries?
Authors: Imam Patrick Amir 
Published: October 2020

AbstractZimbabwe has had a tumultuous currency history. In 2019, it introduced a new currency. To make the new currency widely acceptable, International experience suggests that the introduction of a new currency, following a period of official dollarization, requires the introduction of policies that go beyond just changing the law. This paper, aims to draw lessons from other African countries on how to de‐dollarize effectively. Using various econometric techniques and a new database, this paper documents the pattern of dollarization in African economies over the last decade and assesses the determinants of dollarization compared to the rest of the world. It illustrates that despite an improved macroeconomic environment, dollarization remains elevated, likely due to the region's volatile history. This indicates that dollarization should decline going forward provided that macroeconomic stability is achieved and preserved. The lessons for Zimbabwe are also that it's important to use legal, regulatory and market based incentives to nudge de‐dollarization, and that it will take time.
Fidelity of motivational interviewing training for dental hygiene students
Authors: Bray Kimberly Krust , Bennett Kymberly , Catley Delwyn 
Published: October 2020

AbstractUse of Motivational Interviewing (MI), a patient centered counseling strategy in the health professions, has demonstrated efficacy. Given the varied training associated with the delivery of health interventions, it is essential adherence and competence are equivocally assured. Motivational Interviewing Treatment Integrity (MITI) coding evaluated our recorded standardized patient oral assessment and planning sessions to identify the skills in which MI‐trained students (n = 26) performed compared to student counterparts (n = 24) not trained in the MI curriculum. The full integration of MI in those receiving the MI curriculum resulted in the dental hygiene students with higher ratings for all global ratings, behavioral counts, and summary scores. MI‐trained mean scores for evocation, collaboration, autonomy support, empathy, and direction ranged from 4.16(±0.43) to 3.85 (±0.67). All students receiving MI training reached competence in all 5 of the referenced MITI global variables: evocation, collaboration, autonomy support, empathy, and direction. The most substantial improvements for MITI behavioral and summary variables were in Giving Information, MI Adherence, and proportion of Open‐Ended Questions. Complex Reflections, and subsequently Ratios of Complex Reflections to Open‐Ended Questions were notably below proficiency in the MI group. Knowing which elements were adhered to well and which were lacking helps inform student MI learning outcomes. Results inform the design of MI training curricula to address areas of weakness and maximize performance across all MI fidelity domains.