bluuebunny/crossref_metadata_2025_split huggingface dataset:
Converting the Charge Transfer in ZnO/ZnxCd1‐xS‐DETA Nanocomposite from Type‐I to S‐scheme for Efficient Photocatalytic Hydrogen Production
Authors: Li Zhen , Ma Tingting , Zhang Jinfeng , Wang Zhenghua 
Published: February 2022

AbstractAs for the composite photocatalysts, the carrier transfer mechanism at the heterojunction has a very important impact on their photocatalytic performances. In this work, the bandgap of ZnxCd1‐xS‐DETA can be tuned by adjusting the ratio of Cd2+/Zn2+. With the change of the bandgap of ZnxCd1‐xS‐DETA, the carrier transfer mechanism at the ZnO/ZnxCd1‐xS‐DETA heterojunction changes from Type‐I to S‐scheme, and the photocatalytic properties of ZnO/ZnxCd1‐xS‐DETA nanocomposites also change. Among them, the ZnO/Zn0.5Cd0.5S‐DETA nanocomposite has the best photocatalytic hydrogen evolution activity under visible light, and its hydrogen evolution rate is 2.58 mmol g−1 h−1. In addition, after seven cycles, the ZnO/Zn0.5Cd0.5S‐DETA nanocomposite photocatalyst has no significant decrease in hydrogen evolution rate, which is showing its excellent stability. This work reveals that the carrier transfer mechanism at the heterojunction of composite photocatalysts can be changed by the modulation of bandgap, which provides an effective idea for the development of photocatalysts.
Dual‐Mode Self‐Powered Rainfall Sensor Based on Interfacial‐Polarization‐Enhanced and Nanocapacitor‐Embedded FCB@PDMS Composite Film
Authors: Mu Jiliang , Song Jinsha , Han Xiaotao , Xian Shuai , Hou Xiaojuan , He Jian , Chou Xiujian 
Published: February 2022

AbstractThe uneven time‐space distribution of rainfall can easily induce droughts and floods disasters. Meteorological sensor based on battery supply plays an important role to monitor and warn rainfall intensity, however it is limited by the frequent replacement of battery. In this paper, a dual mode self‐powered rainfall sensor (DSR‐Sensor) based on hybrid enhanced triboelectric nanogenerator (TENG) is first proposed. The DSR‐Sensor is fabricated with frictional layer of polydimethylsiloxane (PDMS) and the electrode layer of Cu. These layers are assembled into TENG composed of single electrode mode and contact separation mode. To increase the specific surface, the surface of PDMS film is modified by microimprint process. To accumulate more induced charges, the film is further doped with nanoparticles of fluorinated carbon black based on the effect of nanocapacitor interface polarization. The measured rainfall intensity ranges from 0.1 to 12 mm min−1, which has obvious advantage compared with the ordinary commercial sensor. The sensitivity and linearity are 5.5237 V mm min–1 and 0.9692, respectively. Also, the electrical output performances keep well in multiple tests of continuous 600 s within one month, which shows excellent stability. These results suggest great realistic potential of the self‐powered DSR‐Sensor in the field of meteorological environment monitoring.
Self‐Organization of Tissue Growth by Interfacial Mechanical Interactions in Multilayered Systems
Authors: Chen Tailin , Zhao Yan , Zhao Xinbin , Li Shukai , Cao Jialing , Guo Jun , Bu Wanjuan , Zhao Hucheng , Du Jing , Cao Yanping , Fan Yubo 
Published: February 2022

AbstractMorphogenesis is a spatially and temporally regulated process involved in various physiological and pathological transformations. In addition to the associated biochemical factors, the physical regulation of morphogenesis has attracted increasing attention. However, the driving force of morphogenesis initiation remains elusive. Here, it is shown that during the growth of multilayered tissues, a morphogenetic process can be self‐organized by the progression of compression gradient stemmed from the interfacial mechanical interactions between layers. In tissues with low fluidity, the compression gradient is progressively strengthened during growth and induces stratification by triggering symmetric‐to‐asymmetric cell division reorientation at the critical tissue size. In tissues with high fluidity, compression gradient is dynamic and induces cell rearrangement leading to 2D in‐plane morphogenesis instead of 3D deformation. Morphogenesis can be tuned by manipulating tissue fluidity, cell adhesion forces, and mechanical properties to influence the progression of compression gradient during the development of cultured cell sheets and chicken embryos. Together, the dynamics of compression gradient arising from interfacial mechanical interaction provides a conserved mechanism underlying morphogenesis initiation and size control during tissue growth.
Efficient Oxygen‐Vacancy Suppression and Electrical Stabilization of Solution‐Processed In2O3:Q (Q = S, Se) Thin‐Film Transistor with Chalcogen Alloying
Authors: Lee Paul , Le Minh Nhut , Kim Gahye , Kwon Sung Min , Jo Jeong‐Wan , Kim Jaehyun , Kim Yong‐Hoon , Park Sung Kyu , Ahn Kyunghan , Kim Myung‐Gil 
Published: February 2022

AbstractTransparent oxide semiconductors are successfully implemented as thin‐film transistors (TFTs) for large‐area display applications with superior electrical performance in comparison with that of conventional amorphous silicon. However, further development of high‐performance oxide semiconductors is hindered by the trade‐off between mobility and stability. Mixed metal composition containing heavy metal cations shows high‐mobility/low‐stability and light metal cations exhibits low‐mobility/high‐stability. A novel material design strategy for realizing a high‐performance oxide semiconductor for TFTs through partial substitution of Se or S for O in In2O3 is reported. In contrast to the conventional small‐sized Ga substitution for suppressing oxygen vacancies, the replacement of O by Se or S results in lattice stabilization and oxygen‐vacancy suppression, consequently stabilizing Se‐ or S‐incorporated In2O3 TFTs. In2O3:Se TFTs exhibit an average field‐effect mobility of 6.1 cm2 V−1s−1, ON/OFF current ratio (Ion/Ioff) of 108, and excellent operational stability with threshold voltage shift values of <0.10 V at a positive and negative bias stress for 10 000 s. Furthermore, the seven‐stage ring oscillator circuit operating at a supply bias of 20 V exhibits an oscillation frequency of >805 kHz and a corresponding propagation delay of <90 ns per stage.
An index to characterize gas‐solid and solid‐solid mixing from average volume fraction fields
Authors: Nagawkar Barlev R. , Kotrike Venkata P. , Passalacqua Alberto , Subramaniam Shankar 
Published: February 2022

AbstractA mixing index based on solid volume fraction fields is developed for gas‐solid flows. Conventional mixing indices are based on particle realizations of granular mixing and are applicable to experimental data or discrete element method simulations. However, these indices cannot be used as‐is for multifluid models, and an index for characterizing mixing in gas‐solid flows from continuous fields is needed. The performance of the new mixing index is tested in two applications. The first is a 3D simulation of the mixing of biomass and sand in a fluidized bed reactor, and the second is a 2D simulation of binary particle segregation in a fluidized bed. The simulations are performed using OpenFOAM®. The mixing index is used to quantify gas‐solid mixing using solid volume fractions and solid‐solid mixing using solid fractions. The formulation of conventional mixing indices is extended to be used with solid volume fractions fields, and methods for performance improvement are presented.
Animal models of pulmonary hypertension due to left heart disease
Authors: Liu Shao‐Fei , Yan Yi 
Published: February 2022

AbstractPulmonary hypertension due to left heart disease (PH‐LHD) is regarded as the most prevalent form of pulmonary hypertension (PH). Indeed, PH is an independent risk factor and predicts adverse prognosis for patients with left heart disease (LHD). Clinically, there are no drugs or treatments that directly address PH‐LHD, and treatment of LHD alone will not also ameliorate PH. To target the underlying physiopathological alterations of PH‐LHD and to develop novel therapeutic approaches for this population, animal models that simulate the pathophysiology of PH‐LHD are required. There are several available models for PH‐LHD that have been successfully employed in rodents or large animals by artificially provoking an elevated pressure load on the left heart, which by transduction elicits an escalated pressure in pulmonary artery. In addition, metabolic derangement combined with aortic banding or vascular endothelial growth factor receptor antagonist is also currently applied to reproduce the phenotype of PH‐LHD. As of today, none of the animal models exactly recapitulates the condition of patients with PH‐LHD. Nevertheless, the selection of an appropriate animal model is essential in basic and translational studies of PH‐LHD. Therefore, this review will summarize the characteristics of each PH‐LHD animal model and discuss the advantages and limitations of the different models.
Self‐Propelled Multifunctional Microrobots Harboring Chiral Supramolecular Selectors for “Enantiorecogniton‐on‐the‐Fly”
Authors: Muñoz Jose , Urso Mario , Pumera Martin 
Published: February 2022

AbstractHerein, a general procedure for the synthesis of multifunctional MRs, which simultaneously exhibit i) chiral, ii) magnetic, and iii) fluorescent properties in combination with iv) self‐propulsion, is reported. Self‐propelled Ni@Pt superparamagnetic microrockets have been functionalized with fluorescent CdS quantum dots carrying a chiral host biomolecule as β‐cyclodextrin (β‐CD). The “on‐the‐fly” chiral recognition potential of MRs has been interrogated by taking advantage of the β‐CD affinity to supramolecularly accommodate different chiral biomolecules (i.e., amino acids). As a proof‐of‐concept, tryptophan enantiomers have been discriminated with a dual‐mode (optical and electrochemical) readout. This approach paves the way to devise intelligent cargo micromachines with “built‐in” chiral supramolecular recognition capabilities to elucidate the concept of “enantiorecognition‐on‐the‐fly”, which might be facilely customized by tailoring the supramolecular host–guest encapsulation.
Statische Rastertunnelmikroskopie‐Bilder enthüllen den Mechanismus der supramolekularen Polymerisation eines Oligopyridins auf Graphit
Authors: Goll Felix D. , Taubmann Gerhard , Ziener Ulrich 
Published: February 2022

AbstractDie supramolekulare Polymerisation eines Donor‐Akzeptor‐Bisterpyridins (BTP), das mit einer elektronenreichen Carbazol‐Einheit ausgestattet ist, wird mit Hilfe der Rastertunnelmikroskopie (STM) an der Grenzfläche zwischen hochorientiertem pyrolytischem Graphit (HOPG) und Lösung beobachtet. Die zweidimensionalen Kristalle supramolekularer (Co‐)Polymere werden durch Kettenwachstumspolymerisation gebildet, die wiederum durch Copolymerisationsstatistiken beschrieben werden kann. Aus konzentrationsabhängigen Messungen, abgeleiteten Copolymerisationsparametern und DFT‐Berechnungen wird ein Mechanismus für die Selbstorganisation entwickelt, der einen kinetisch getriebenen Polymerisationsprozess in Kombination mit thermodynamisch kontrollierter Kristallisation nahelegt.
Intrinsic Hole Mobility in Luminescent Metal–Organic Frameworks and Its Application in Organic Light‐Emitting Diodes
Authors: Kaiyasuan Chokchai , Somjit Vetiga , Boekfa Bundet , Packwood Daniel , Chasing Pongsakorn , Sudyoadsuk Taweesak , Kongpatpanich Kanokwan , Promarak Vinich 
Published: February 2022

AbstractMost metal–organic frameworks (MOFs) lack charge mobility, which is crucial for realizing their use in optoelectronic applications. This work proposes the design of a MOF using triarylamine‐based ligands (Zr‐NBP) as the lone pair electron spacer to enhance the hole mobility in the MOF while maintaining its luminescent properties. Zr‐NBP has strong fluorescence with a good hole mobility of 1.05×10−6 cm2 V−1 s−1, which is comparable to organic materials used in optoelectronic devices. We also employed a Zr‐NBP nanofilm in the pure phase as both a non‐doped emissive layer and a hole‐transporting layer within organic light‐emitting diodes (OLEDs). The obtained OLED device produced a bright green light with a low turn‐on voltage of 3.9 V. This work presents an advance in developing the electronic properties of MOFs by modifying the chemical properties of its building blocks, and will likely inspire further design of MOF materials as active layers in optoelectronic devices.
Predict marital satisfaction based on the variables of socioeconomic status (SES) and social support, mediated by mental health, in women of reproductive age: Path analysis model
Authors: Rashidi Fakari Farzaneh , Doulabi Mahbobeh Ahmadi , Mahmoodi Zohreh 
Published: February 2022

AbstractBackgroundThe present study aimed to predict marital satisfaction based on the variables of socioeconomic status (SES) and social support, mediated by mental health, in women of reproductive age using the path analysis model.MethodsThis descriptive‐analytical study was conducted on 608 women referred to clinics affiliated to Shahid Beheshti University of Medical Sciences in 2021 using multistage sampling. Data were collected using a personal‐demographic questionnaire, the SES scale developed by Garmaroudi et al. in Iran, the Perceived Social Support scale, the Perceived Stress Scale (PSS), Spielberger State‐Trait Anxiety Inventory (STAI), Beck's Depression Inventory (BDI), and the ENRICH marital satisfaction scale. Data were analyzed in SPSS and LISREL‐1.96 software at a significance level of p < .05.ResultsMost surveyed women were aged 21–30 years (50.2%) and were housewives (68%). According to the results of the path analysis test, among the variables that were causally related to marital satisfaction in only one path, depression had the highest negative correlation with marital satisfaction in the direct path (B = −0.23), SES the highest positive correlation in the indirect path (B = 2.336), and social support the highest positive correlation both in the direct and indirect paths (B = 0.365).ConclusionThe results showed that more favorable social support and SES are associated with higher marital satisfaction while a higher level of depression is associated with a lower marital satisfaction. Therefore, these factors play important roles in marriage sustainability and marital satisfaction.
Clinical and molecular assessment of an onco‐immune signature with prognostic significance in patients with colorectal cancer
Authors: Ahluwalia Pankaj , Mondal Ashis K. , Ahluwalia Meenakshi , Sahajpal Nikhil S. , Jones Kimya , Jilani Yasmeen , Gahlay Gagandeep K. , Barrett Amanda , Kota Vamsi , Rojiani Amyn M. , Kolhe Ravindra 
Published: February 2022

AbstractUnderstanding the complex tumor microenvironment is key to the development of personalized therapies for the treatment of cancer including colorectal cancer (CRC). In the past decade, significant advances in the field of immunotherapy have changed the paradigm of cancer treatment. Despite significant improvements, tumor heterogeneity and lack of appropriate classification tools for CRC have prevented accurate risk stratification and identification of a wider patient population that may potentially benefit from targeted therapies. To identify novel signatures for accurate prognostication of CRC, we quantified gene expression of 12 immune‐related genes using a medium‐throughput NanoString quantification platform in 93 CRC patients. Multivariate prognostic analysis identified a combined four‐gene prognostic signature (TGFB1, PTK2, RORC, and SOCS1) (HR: 1.76, 95% CI: 1.05–2.95, *p < 0.02). The survival trend was captured in an independent gene expression data set: GSE17536 (177 patients; HR: 3.31, 95% CI: 1.99–5.55, *p < 0.01) and GSE14333 (226 patients; HR: 2.47, 95% CI: 1.35–4.53, *p < 0.01). Further, gene set enrichment analysis of the TCGA data set associated higher prognostic scores with epithelial–mesenchymal transition (EMT) and inflammatory pathways. Comparatively, a lower prognostic score was correlated with oxidative phosphorylation and MYC and E2F targets. Analysis of immune parameters identified infiltration of T‐reg cells, CD8+ T cells, M2 macrophages, and B cells in high‐risk patient groups along with upregulation of immune exhaustion genes. This molecular study has identified a novel prognostic gene signature with clinical utility in CRC. Therefore, along with prognostic features, characterization of immune cell infiltrates and immunosuppression provides actionable information that should be considered while employing personalized medicine.
Control of common weeds in Wisconsin soybean cropping systems with pre‐emergence herbicides
Authors: Ribeiro Victor , Coura Oliveira Maxwel , Smith Daniel H. , Barbosa dos Santos José , Werle Rodrigo 
Published: February 2022

AbstractThe integration of pre‐emergence (PRE) herbicides is an important component of sustainable long‐term weed management programs in soybean [Glycine max (L.) Merr.]. The objective of this study was to evaluate the efficacy of 11 PRE herbicides on residual weed control in soybean. Field experiments were conducted in 2018 and 2019 at Arlington and Lancaster, WI. Herbicide treatments consisted of imazethapyr, chlorimuron‐ethyl, and cloransulam‐methyl (acetolactate synthase [ALS] inhibitors), metribuzin (photosystem II [PSII] inhibitor), sulfentrazone, flumioxazin, and saflufenacil (protoporphyrinogen oxidase [PPO] inhibitors), acetochlor, S‐metolachlor, dimethenamid‐P, and pyroxasulfone (very long‐chain fatty acid [VLCFA] inhibitors), and a nontreated control. Predominant weed species included common lambsquarters, [Chenopodium album (L.)], common purslane [Portulaca oleracea (L.)], common ragweed [Ambrosia artemisiifolia (L.)], giant foxtail (Setaria faberi Herrm.), waterhemp [Amaranthus tuberculatus (Moq.) J.D. Sauer], and yellow foxtail [Setaria pumila (Poir.) Roem. & Schult.]. Visual weed control was assessed by species and weed biomass across species 65 days after treatment (DAT). The PRE herbicide efficacy varied across site‐years due to the different weed species present at each site. The ALS inhibitors controlled common purslane and common lambsquarters ≥95% 65 DAT at Arlington and Lancaster in 2018 but controlled waterhemp <50% at Lancaster in 2018 and 2019. The PPO inhibitors controlled waterhemp >90% 65 DAT at Lancaster in 2018 and 2019. The VLCFA inhibitors controlled common purslane, common lambsquarters, foxtail species, and waterhemp ≥70% 65 DAT across site‐years but ≤30% common ragweed control at Arlington in 2019. Results showcase the importance of knowing the weed species composition in the seedbank within each field; this can assist growers and crop advisers with selection of the appropriate effective PRE herbicide(s) that matches the weed species composition in each individual field.
Prelithiation Reagents and Strategies on High Energy Lithium‐Ion Batteries
Authors: Xin Chen , Gao Jian , Luo Rui , Zhou Weidong 
Published: February 2022

AbstractLithium‐ion batteries (LIBs) have been widely employed in energy‐storage applications owing to the relatively higher energy density and longer cycling life. However, they still need further improvement especially on the energy density to satisfy the increasing demands on the market. In this respect, the irreversible capacity loss (ICL) in the initial cycle is a critical challenge due to the lithium loss during the formation of solid electrolyte interphase (SEI) layer on the anode surface. The strategy of prelithiation was then proposed to compensate for the ICL in the anode and recover the energy density. Here, various methods of the prelithiation are summarized and classified according to the basic working mechanism. Further, considering the critical importance and promising progress of prelithiation in both fundamental research and real applications, this Review article is intended to discuss the considerations involved in the selection of prelithiation reagents/strategies and the electrochemical performance in full‐cells. Moreover, insights are provided regarding the practical application prospects and the challenges that still need to be addressed.
Towards Nitrogen‐Rich N‐Heteropolycycles: Synthesis of Octaazaperopyrenes (OAPP)
Authors: Wesp Tobias , Bruckhoff Tim , Petry Julian , Wadepohl Hubert , Gade Lutz H. 
Published: February 2022

AbstractOrtho substituted octaazaperopyrenes (OAPPs) are a new class of functional dyes characterized by their strong electron‐accepting behavior. Herein, the synthesis, as well as the electrochemical and photo physical properties of an OAPP dye, is reported. The OAPP target was prepared via selective nucleophilic substitution at the peri position of a bay chlorinated tetraazaperylene by introduction of four amino‐substituents. The resulting tetraminoperylene was reacted with different acyl chlorides and anhydrides to give the twisted bay chlorinated OAPP derivatives which were isolated in their reduced dihydro‐form. The OAPP target could be obtained via a palladium catalyzed dehalogenation and a subsequent oxidation. The eightfold isosteric [CH→N] replacement within the peropyrene core structure results in a large decrease of the frontier orbital energies, rendering the target compound a potent oxidant while preserving the planarity of the aromatic core. The radical anion was obtained by reduction of the OAPP with KC8 and characterized by EPR spectroscopy. A general discussion of the number and location of [CH→N] replacements in peropyrene structures and their frontier orbital energies is provided.
Statistical Design of Experiments in the Catalyst Validation of a Cu/ZnO/Al2O3 Catalyst for PtM Applications
Authors: Walter Jan , Pätzold Carsten , Bertau Martin 
Published: February 2022

AbstractMethanol stellt als flüssiger Energieträger und C1‐Baustein eine wichtige Komponente zur Speicherung von elektrischer Energie aus erneuerbaren Quellen dar. Die Erzeugung von „grünem Methanol“ aus Strom (Power‐to‐Methanol) ist ein sektorübergreifender Ansatz zur Nutzung erneuerbarer Energien. Kupferbasierte Katalysatoren für die Methanolsynthese aus CO eignen sich auch zur Umsetzung von CO2 mit regenerativ erzeugtem Wasserstoff. Durch statistische Versuchsplanung wurde der für die PtM‐Anwendung optimale Arbeitsbereich hinsichtlich der Zielgrößen CO2‐Umsatz und Methanolausbeute eines kommerziell erhältlichen Katalysators gefunden.
Mechanistic Investigation and Conductance Modulation of a Metal‐Molecule‐Metal Junction via Extra Acid Addition
Authors: Xiao Bohuai , Dong Jianqiao , Wang Zhiye , Wang Xu , Sun Mingjun , Guo Jing , Qian Gongming , Li Yunchuan , Chang Shuai 
Published: February 2022

AbstractOne important prerequisite for the fabrication of molecular functional device strongly relies on the understanding the conducting behaviors of the metal‐molecule‐metal junction that can respond to an external stimulus. The model Lewis basic molecule 4,4′‐(pyridine‐3,5‐diyl)dibenzonitrile (DBP), which can react with Lewis acid and protic acid, was synthesized. Then, the molecular conducting behavior of DBP, DBP‐B(C6F5)3, and DBP‐TfOH (DBP‐B(C6F5)3, and DBP‐TfOH were produced by Lewis acid and protonic acid treatment of DBP) was researched and compared. Given that their identical physical paths for DBP, DBP‐B(C6F5)3, and DBP‐TfOH to sustain charge transport, our results indicate that modifying the molecular electronic structure, even not directly changing the conductive physical backbone, can tune the charge transporting ability by nearly one order of magnitude. Furthermore, the addition of another Lewis base triethylamine (of stronger alkaline than DBP), to Lewis acid‐base pair reverts the electrical properties back to that of a single DBP junction, that is constructive to propose a useful but simple strategy for the design and construction of reversible and controllable molecular device based on pyridine derived molecule.