bluuebunny/crossref_metadata_2025 huggingface dataset:
Dynamic Assembly of Viscoelastic Networks by Aqueous Liquid–Liquid Phase Separation and Liquid–Solid Phase Separation (AqLL‐LS PS2)
Authors: Cui Huanqing , Zhang Yage , Shen Yinan , Zhu Shipei , Tian Jingxuan , Li Qingchuan , Shen Yi , Liu Sihan , Cao Yang , Shum Ho Cheung
Published: October 2022

Living cells comprise diverse subcellular structures, such as cytoskeletal networks, which can regulate essential cellular activities through dynamic assembly and synergistic interactions with biomolecular condensates. Despite extensive efforts, reproducing viscoelastic networks for modulating biomolecular condensates in synthetic systems remains challenging. Here, a new aqueous two‐phase system (ATPS) is proposed, which consists of poly(N‐isopropylacrylamide) (PNIPAM) and dextran (DEX), to construct viscoelastic networks capable of being assembled and dissociated dynamically to regulate the self‐assembly of condensates on‐demand. Viscoelastic networks are generated using liquid–liquid phase‐separated DEX droplets as templates and the following liquid‐to‐solid transition of the PNIPAM‐rich phase. The resulting networks can dissolve liquid fused in sarcoma (FUS) condensates within 5 min. This work demonstrates rich phase‐separation behaviors in a single ATPS through incorporating stimuli‐responsive polymers. The concept can potentially be applied to other macromolecules through other stimuli to develop materials with rich phase behaviors and hierarchical structures.
Chemical Vapor Deposition of Quaternary 2D BiCuSeO p‐Type Semiconductor with Intrinsic Degeneracy
Authors: Li Jie , Zhang Yan , Zhang Junrong , Chu Junwei , Xie Liu , Yu Wenzhi , Zhao Xinxin , Chen Cheng , Dong Zhuo , Huang Luyi , Yang Liu , Yu Qiang , Ren Zeqian , Wang Junyong , Xu Yijun , Zhang Kai
Published: October 2022

2D BiCuSeO is an intrinsic p‐type degenerate semiconductor due to its self‐doping effect, which possesses great potential to fabricate high‐performance 2D–2D tunnel field‐effect transistors (TFETs). However, the controllable synthesis of multinary 2D materials by chemical vapor deposition (CVD) is still a challenge due to the restriction of thermodynamics. Here, the CVD synthesis of quaternary 2D BiCuSeO nanosheets is realized. As‐grown BiCuSeO nanosheets with thickness down to ≈6.1 nm (≈7 layers) and domain size of ≈277 µm show excellent ambient stability. Intrinsic p‐type degeneracy of BiCuSeO, capable of maintaining even in a few layers, is comprehensively unveiled. By varying the thicknesses and temperatures, the carrier concentration of BiCuSeO nanosheets can be adjusted in the range of 1019 to 1021 cm−3, and the Hall mobility of BiCuSeO is ≈191 cm2 V−1 s−1 (at 2 K). Furthermore, taking advantage of the p‐type degeneracy of BiCuSeO, a prototypical BiCuSeO/MoS2 TFET is fabricated. The emergence of the negative differential resistance trend and multifunctional diodes by modulating the gate voltage and temperature reveal the great practical implementation potential of BiCuSeO nanosheets. These results pave way for the CVD synthesis of multinary 2D materials and rational design of high‐performance tunnel devices.
Organic Semiconductor Single‐Crystal Light‐Emitting Transistors
Authors: Qin Zhengsheng , Gao Can , Dong Huanli , Hu Wenping
Published: October 2022

Organic semiconductor single crystals, with the unique advantages of high carrier transport properties, high optical quality, and low defect density, are ideal candidates for constructing high‐performance organic light‐emitting transistors (OLETs) and advancing their related potential applications, including smart displays, micro‐nano light sources, organic electrically pumped lasers, and integrated photonic circuits. Recently, significant progress has been made in organic semiconductor single‐crystal light‐emitting transistors (OSSCLETs), particularly high‐mobility emissive organic semiconductor single crystals, high‐performance light‐emitting transistors, and color‐tunable organic semiconductor single crystals and OLETs. In this review, the exciting advances in OSSCLETs are summarized in terms of advanced organic semiconductor materials, high‐quality organic semiconductor single crystals, advanced device technologies, and high‐performance light‐emitting transistors. Finally, the challenges and prospects of OSSCLETs as well as promising research directions in this field are briefly summarized.
Stable High‐Concentration Monoclonal Antibody Formulations Enabled by an Amphiphilic Copolymer Excipient
Authors: Klich John H. , Kasse Catherine M. , Mann Joseph L. , Huang Yaoqi , d'Aquino Andrea I. , Grosskopf Abigail K. , Baillet Julie , Fuller Gerald G. , Appel Eric A.
Published: October 2022

Monoclonal antibodies (mAbs) are a staple in modern pharmacotherapy. Unfortunately, these biopharmaceuticals are limited by their tendency to aggregate in formulation, resulting in poor stability and often requiring low concentration drug formulations. Existing excipients designed to stabilize formulations are often limited by their toxicity and tendency to form particles such as micelles. Here, the ability of a simple “drop‐in,” amphiphilic copolymer excipient to enhance the stability of high concentration formulations of clinically relevant mAbs without altering their pharmacokinetics or injectability is demonstrated. Through interfacial rheology and surface tension measurements, it is demonstrated that the copolymer excipient competitively adsorbs to formulation interfaces. Further, through determination of monomeric composition and retained bioactivity after stressed aging, it is shown that this excipient confers a significant stability benefit to high concentration antibody formulations. Finally, it is demonstrated that the excipient behaves as an inactive ingredient, having no significant impact on the pharmacokinetic profile of a clinically relevant antibody in mice. This amphiphilic copolymer excipient demonstrates promise as an additive to create stable, high concentration antibody formulations, thereby enabling improved treatment options such as a route‐of‐administration switch from low concentration intravenous (IV) to high concentration subcutaneous (SC) delivery while reducing dependence on the cold chain.
Energy and Frequency Characteristics of Microseismic Particles in a Complex Geological Model
Authors: Zhou Linli , Jia Baoxin , Zheng Kenan , Chen Hao , Zhao Long
Published: October 2022

This study aims to better understand the energy–frequency characteristics of microseismic wave propagation by monitoring particles in complex geology. Artificial seismic source experiments are conducted using a complex geological model, and variational mode decomposition method is applied to process the microseismic signals, obtain reconstructed microseismic signals and decomposition modes, and calculate the microseismic particle input energy and signal energy at each measurement point. Computations derived from the Sadoff empirical formula are used to evaluate the attenuation of the microseismic particle input energy with the propagation distance. The relationships between microseismic wave center frequency and energy and between the microseismic particle input energy and microseismic signal energy are elucidated. The results show that the microseismic particle input energy follows a power exponential decay trend with increasing propagation distance; the values and distributions of the microseismic particle input energy and signal energy conform to a Gaussian trend in the frequency domain; various geological structures and combinations thereof impose frequency modulation effects on the microseismic wave, where the frequency modulation interval depends on the microseismic waves across the different interfaces; and the linear slope describing the relationship between microseismic particle input energy and signal energy can reflect the microseismic wave propagation state.
Functionalized 3D Covalent Organic Frameworks for High‐Performance CO2 Capture and Separation over N2
Authors: Wei Shuxian , Xin Huili , Wang Maohuai , Xu Shengyu , Zhai Wanru , Liu Sen , Wang Lu , Liu Siyuan , Wang Zhaojie , Lu Xiaoqing
Published: October 2022

Covalent organic frameworks (COFs) are emerging adsorbent materials for CO2 capture and separation due to their tunable pore size, periodic permutation, and chemical thermal stability. Herein, four functionalized 3D COF‐300s (COF‐300‐X, X = –SO3H, –NO2, –OH, and –NH2) for CO2 adsorption and separation are studied by using density functional theory and grand canonical Monte Carlo simulation. The results show that four functionalized COF‐300s could create a feasible environment for CO2 adsorption with high accessible surface area, suitable pore size, and high porosity. The CO2 adsorption capacity in COF‐300s could be significantly improved by functionalization. In comparison, the best performing COF‐300‐SO3H shows a superior CO2 adsorption capacity of 6.23 mmol g−1 and a high CO2/N2 selectivity of 393 at 298 K and 100 kPa. The adsorption heat and interaction analyses demonstrate that the CO2 affinity in COF‐300s is enhanced by the introduction of polar functional groups, which renders great CO2 adsorption and separation performances. The gas distribution shows that the adsorption sites are concentrated near the functional groups and the distribution of CO2 in COF‐300‐SO3H has a characteristic of multilayer adsorptions. This work highlights COF‐300‐SO3H as an outperforming adsorbent candidate for CO2 capture and separation.
Spatial distribution characteristics of soil moisture in different slopes on Loess Gully Region
Authors: Shan Yulin , Xie Jiancang , Lei Na
Published: October 2022

The spatiotemporal changes of soil moistures under different rainfall events and slope positions in the loess hilly and gully area were assessed in this study using the positioning monitoring method. According to the three positions with different distances from the top of the slope, set the three treatments of “top of the slope” (TS), “middle of the slope” (MS), and “bottom of the slope” (BS). The results demonstrated a certain degree of influence of rainfall and slope position on the vertical change of soil moisture at different soil depths in the study area. Before intense rainfall, soil moisture at different slope positions revealed a vertical distribution pattern and increased with increasing soil depth. In addition, soil moisture contents below the 60‐cm depth at different sites were significantly higher than those observed above the 60‐cm depth (p < .05), while soil moisture contents below the 120‐cm depth were extremely significantly higher than those observed above the 120‐cm depth (p < .01). On the other hand, no significant variation in soil moisture content was observed between different depths after intense rainfall events (p > .05). The above studies show that soil moisture in the loess hilly and gully area has a certain hysteresis effect. The hysteresis of soil flow allows us to effectively collect and use soil moisture, which can provide a theoretical basis for the intensive and economical use of soil moisture in this area.
Impact of alternating overnight housing conditions on welfare measures in a bachelor group of western lowland gorillas (Gorilla gorilla gorilla)
Authors: Gartland Kylen N. , Bovee Emily , Fuller Grace
Published: October 2022

Spatial parameters and design of overnight housing spaces can have significant influences on both nocturnal and diurnal behaviors of western lowland gorillas (Gorilla gorilla gorilla) in captivity. This is especially true for bachelor groups, as adult males have demonstrated a greater tendency to separate from conspecifics overnight. Additionally, previous studies have suggested that the social needs of individuals in bachelor units may shift over time. The bachelor unit at the Detroit Zoo is managed in a unique hybrid strategy in which the group is housed socially for three nights (either indoors or indoors with outdoor access), then separately on the fourth. A 2016 study of this group (n = 3) suggested that individuals had better welfare following social overnight housing as compared to solitary overnight housing. We aimed to reassess how overnight housing conditions affect individual welfare several years later. We revised a previously developed qualitative behavioral assessment tool that included 13 behavioral items spanning both positive and negative indicators of welfare. Animal care staff completed the assessment and collected a fecal sample every day for each gorilla for a period of 3 months. We used Kruskal–Wallis tests to analyze variation in behavioral items and FGMs between conditions. We then used generalized linear mixed models to identify whether overnight housing condition or other potentially confounding variables were driving observed variation in welfare indicators. We found significant variation demonstrating significantly better welfare indicators after being housed separately as compared to being socially housed indoors overnight. Although separate housing appears to be the ideal condition for this group at this point in time, if seasonality permits, social housing with outdoor access may be a feasible alternative to consistent overnight separation for these gorillas.
Pre‐diagnostic cognitive and functional impairment in multiple sporadic neurodegenerative diseases
Authors: Swaddiwudhipong Nol , Whiteside David J. , Hezemans Frank H. , Street Duncan , Rowe James B. , Rittman Timothy
Published: October 2022

Introduction

The pathophysiological processes of neurodegenerative diseases begin years before diagnosis. However, pre‐diagnostic changes in cognition and physical function are poorly understood, especially in sporadic neurodegenerative disease.

Methods

UK Biobank data were extracted. Cognitive and functional measures in individuals who subsequently developed Alzheimer's disease (AD), Parkinson disease, frontotemporal dementia, progressive supranuclear palsy, dementia with Lewy bodies, or multiple system atrophy were compared against individuals without neurodegenerative diagnoses. The same measures were regressed against time to diagnosis, after adjusting for the effects of age.

Results

There was evidence for pre‐diagnostic cognitive impairment and decline with time, particularly in AD. Pre‐diagnostic functional impairment and decline were observed in multiple diseases.

Discussion

The scale and longitudinal follow‐up of UK Biobank participants provides evidence for cognitive and functional decline years before symptoms become obvious in multiple neurodegenerative diseases. Identifying pre‐diagnostic functional and cognitive changes could improve selection for preventive and early disease‐modifying treatment trials.
Modelling Conformational Flexibility in a Spectrally Addressable Molecular Multi‐Qubit Model System
Authors: Rogers Ciarán J. , Asthana Deepak , Brookfield Adam , Chiesa Alessandro , Timco Grigore A. , Collison David , Natrajan Louise S. , Carretta Stefano , Winpenny Richard E. P. , Bowen Alice M.
Published: October 2022

Dipolar coupled multi‐spin systems have the potential to be used as molecular qubits. Herein we report the synthesis of a molecular multi‐qubit model system with three individually addressable, weakly interacting, spin
centres of differing g‐values. We use pulsed Electron Paramagnetic Resonance (EPR) techniques to characterise and separately address the individual electron spin qubits; CuII, Cr7Ni ring and a nitroxide, to determine the strength of the inter‐qubit dipolar interaction. Orientation selective Relaxation‐Induced Dipolar Modulation Enhancement (os‐RIDME) detecting across the CuII spectrum revealed a strongly correlated CuII‐Cr7Ni ring relationship; detecting on the nitroxide resonance measured both the nitroxide and CuII or nitroxide and Cr7Ni ring correlations, with switchability of the interaction based on differing relaxation dynamics, indicating a handle for implementing EPR‐based quantum information processing (QIP) algorithms.
Excited‐State Intramolecular Proton Transfer Parent Core Engineering for Six‐Level System Lasing Toward 900 nm
Authors: Yan Chang‐Cun , Liu Yan‐Ping , Yang Wan‐Ying , Wu Jun‐Jie , Wang Xue‐Dong , Liao Liang‐Sheng
Published: October 2022

Organic molecules which can undergo excited‐state intramolecular proton transfer (ESIPT) process have been considered as ideal gain materials for near‐infrared organic lasers owing to their effective four‐level systems. However, extending lasing wavelength beyond 800 nm with present ESIPT‐active gain materials is still in challenge. Herein, we established a molecular design strategy that operates via extending the π‐conjugated system of the ESIPT parent core to enhance the cascaded double ESIPT process and thus to achieve the red‐shifted six‐level system lasing. Concretely, a model molecule with 1,9‐dihydroxyanthracene as the ESIPT parent core was designed and synthesized, which was proved to undergo twice cascaded ESIPT processes while the 1,8‐dihydroxynaphthalene‐based analogue can only undergo once ESIPT process based on DFT calculations and ultrafast dynamics analyses. Finally, a six‐level system lasing toward 900 nm was achieved with a low threshold of 27.4 μJ cm−2.
Fluorine‐18 Labeling of Difluoromethyl and Trifluoromethyl Groups via Monoselective C−F Bond Activation
Authors: Khanapur Shivashankar , Lye Kenneth , Mandal Dipendu , Jie Wee Xin , Robins Edward G. , Young Rowan D.
Published: October 2022

We report a general method for the labeling of both CF3 and CF2H groups in a broad range of chemical settings (aryl, oxide, sulfide). The method utilizes frustrated Lewis pair mediated selective C−F activation to formally substitute fluorine‐19 with fluorine‐18 in a two‐step defluorination/radiofluorination process, and as such can utilize the target compounds as starting materials. The radiotracer precursors can be isolated as stable salts prior to radiofluorination. The method delivers good radiochemical yields and molar activities (up to 35.2±6.5 % non‐decay corrected isolated activity yields and 12.0±1.7 GBq μmol−1 molar activities) and is shown to be applicable to biologically relevant compounds. The ability to utilize the target compound as the starting material and the synthetic simplicity of the method coupled with the ever‐increasing use of CF3 and CF2H groups in pharmaceuticals makes this method attractive for drug and radiotracer development.
Dotierungs‐/Legierungswege zu bleifreien Halogenid‐Perowskiten mit ultimativen Photolumineszenz‐Quantenausbeuten
Authors: Stroyuk Oleksandr , Raievska Oleksandra , Hauch Jens , Brabec Christoph J.
Published: October 2022

Maßgeschneiderte Modifizierungen bleifreier Halogenid‐Perowskite (BHP) durch Dotierung/Legierung mit Metallkationen gelten als vielversprechender Weg zu hocheffizienten anorganischen Leuchtstoffen mit Photolumineszenz (PL)‐Quantenausbeuten von bis zu 100 %. Solche Materialien weisen typischerweise eine selektive Empfindlichkeit gegen UV‐Licht, einen breiten PL‐Bereich, lange PL‐Lebensdauern und eine einzigartige Variabilität und Stabilität der Zusammensetzung auf – eine ideale Kombination für viele Lichtsammelanwendungen. Dieser Kurzaufsatz stellt den Stand der Technik bei dotierten BHPs vor, mit dem Schwerpunkt auf Berichten aus den letzten 2–3 Jahren. Wir diskutieren die Faktoren, die die Effizienz und die spektralen Parameter der Breitband‐PL von dotierten BHP abhängig von Dotierstoff und Wirtsmatrix im mikro‐ wie auch im nanokristallinen Zustand bestimmen, gehen auf die wichtigsten Herausforderungen in diesem sich rasch entwickelnden Forschungsbereich ein und skizzieren die vielversprechendsten Konzepte, um weitere Fortschritte in diesem Bereich zu erzielen.
Atroposelective Synthesis of N‐Arylated Quinoids by Organocatalytic Tandem N‐Arylation/Oxidation
Authors: Guo Chang‐Qiu , Lu Chuan‐Jun , Zhan Li‐Wen , Zhang Peng , Xu Qi , Feng Jia , Liu Ren‐Rong
Published: October 2022

Diarylamines and related scaffolds are ubiquitous atropisomeric chemotypes in biologically active natural products. However, the catalytic asymmetric synthesis of these axially chiral compounds remains largely unexplored. Herein, we report that a BINOL‐derived chiral phosphoric acid (CPA) successfully catalyzed the atroposelective coupling of quinone esters and anilines through direct C−N bond formation to afford N‐aryl quinone atropisomers with an unprecedented intramolecular N−H−O hydrogen bond within a six‐membered ring in good yields and enantioselectivities with the quinone ester as both the electrophile and the oxidant. A gram‐scale experiment demonstrated the utility of this synthetic protocol. Moreover, this methodology provides a platform for the synthesis of structurally diverse secondary amine atropisomers by nucleophilic addition.
The Dynamic Formation from Metal‐Organic Frameworks of High‐Density Platinum Single‐Atom Catalysts with Metal‐Metal Interactions
Authors: Shan Jieqiong , Liao Jiangwen , Ye Chao , Dong Juncai , Zheng Yao , Qiao Shi‐Zhang
Published: October 2022

Single‐atom catalysts (SACs) hold great promise for highly efficient heterogeneous catalysis, yet the practical applications require the development of high‐density active sites with flexible geometric structures. The lack of understanding in the dynamic formation process of single atoms in the host framework has been plaguing the controllable synthesis of next generation SACs. Here using Co‐based metal‐organic frameworks (MOFs) as a starting substrate, we fully elucidated the formation of high‐density Pt single atoms with inter‐site interactions in derived Co3O4 host. The cation exchange process and dynamic evolution of Pt−Pt interactions, organic ligand cleavage and Pt‐oxygen coordination formation during the pyrolysis process have been unambiguously interpreted by a series of in situ/ex situ spectroscopic measurements and theoretical computation. These findings would direct the synthesis of high‐density SACs with metal‐metal interactions, which demonstrate significantly enhanced structural flexibility and catalytic properties.
Singlet‐Triplet Energy Gap as a Critical Molecular Descriptor for Predicting Organic Photovoltaic Efficiency
Authors: Han Guangchao , Yi Yuanping
Published: October 2022

In contrast to the inorganic and perovskite solar cells, organic photovoltaics (OPV) depend on a series of charge generation and recombination processes, which complicates molecular design to improve the power conversion efficiencies (PCEs). Herein, we first propose the singlet‐triplet energy gap (ΔEST) as a critical molecular descriptor for predicting the PCE considering that minimizing ΔEST is beneficial to simultaneously reduce voltage loss and triplet recombination. Remarkably, the results from data‐driven machine learning verify that the prediction accuracy of the ΔEST (Pearson's correlation coefficient r=0.72) is apparently superior to that of two commonly used molecular descriptors in OPV, i.e., the optical gap (r=0.65) and the driving force (r=0.53). Moreover, an impressive prediction accuracy of r=0.81 is achieved just by combining the three descriptors. This work paves the way toward rapid and precise screening of efficient OPV materials.
A Sterically Tuned Directing Auxiliary Promotes Catalytic 1,2‐Carbofluorination of Alkenyl Carbonyl Compounds**
Authors: Liu Zhonglin , Oxtoby Lucas J. , Sun Juntao , Li Zi‐Qi , Kim Nana , Davies Geraint H. M. , Engle Keary M.
Published: October 2022

The site‐selective palladium‐catalyzed three‐component coupling of unactivated alkenyl carbonyl compounds, aryl‐ or alkenylboronic acids, and N‐fluorobenzenesulfonimide is described herein. Tuning of the steric environment on the bidentate directing auxiliary enhances regioselectivity and facilitates challenging C(sp3)−F reductive elimination from a PdIV intermediate to afford 1,2‐carbofluorination products in moderate to good yields.
A Facile Strategy to Obtain Low‐Cost and High‐Performance Gold‐Based Catalysts from Artificial Electronic Waste by [Zr48Ni6] Nano‐Cages in MOFs for CO2 Electroreduction to CO
Authors: Zhu Zi‐Hao , Liang Ze‐Long , Jiao Zhuo‐Hao , Jiang Xiao‐Lei , Xie Yao , Xu Hang , Zhao Bin
Published: October 2022

Expensive gold‐based catalysts are frequently used for electrochemical CO2 reduction into CO. A feasible approach to obtain low‐cost Au‐based catalysts is needed. Herein, a novel framework 1 assembled from [Zr48Ni6] nano‐cages is prepared. It exhibits a high BET surface area of 1569 m2 g−1 and high solvents/pH stability. 1 can not only selectively extract AuCl4− from artificial electronic waste, but can then be transformed into low‐cost catalyst Au nanoparticle@1‐x (Au NPs@1‐x, x=1, 2, 3, 4) with tuneable Au NPs sizes. The CO2RR investigations revealed that the Au NPs@1‐3 displayed an excellent FECO of 95.2 % with a current density of 102.9 mA cm−2 at −1.1 V, and such high catalytic activity can be maintained for at least 15 h without obvious decrease because the confinement effect of [Zr48Ni6] nano‐cages prevents Au NPs agglomeration. This work offers a facile strategy to obtain low‐cost and high‐performance Au‐based catalysts for various reactions activated by Au.
Electrochemical Palladium‐Catalyzed Oxidative Carbonylation‐Cyclization of Enallenols
Authors: Zhang Jianwei , Das Biswanath , Verho Oscar , Bäckvall Jan‐E.
Published: October 2022

Herein, we report an electrochemical oxidative palladium‐catalyzed carbonylation‐carbocyclization of enallenols to afford γ‐lactones and spirolactones, which proceeds with excellent chemoselectivity. Interestingly, electrocatalysis was found to have an accelerating effect on the rate of the tandem process, leading to a more efficient reaction than that under chemical redox conditions.
The Dynamic Formation from Metal‐Organic Frameworks of High‐Density Platinum Single‐Atom Catalysts with Metal‐Metal Interactions
Authors: Shan Jieqiong , Liao Jiangwen , Ye Chao , Dong Juncai , Zheng Yao , Qiao Shi‐Zhang
Published: October 2022

Single‐atom catalysts (SACs) hold great promise for highly efficient heterogeneous catalysis, yet the practical applications require the development of high‐density active sites with flexible geometric structures. The lack of understanding in the dynamic formation process of single atoms in the host framework has been plaguing the controllable synthesis of next generation SACs. Here using Co‐based metal‐organic frameworks (MOFs) as a starting substrate, we fully elucidated the formation of high‐density Pt single atoms with inter‐site interactions in derived Co3O4host. The cation exchange process and dynamic evolution of Pt−Pt interactions, organic ligand cleavage and Pt‐oxygen coordination formation during the pyrolysis process have been unambiguously interpreted by a series of in situ/ex situ spectroscopic measurements and theoretical computation. These findings would direct the synthesis of high‐density SACs with metal‐metal interactions, which demonstrate significantly enhanced structural flexibility and catalytic properties.
Electrochemical CO2 Reduction in the Presence of Impurities: Influences and Mitigation Strategies
Authors: Harmon Nia J. , Wang Hailiang
Published: October 2022

The electrochemical conversion of waste CO2 into useful fuels and chemical products is a promising approach to reduce CO2 emissions; however, several challenges still remain to be addressed. Thus far, most CO2 reduction studies use pure CO2 as the gas reactant, but CO2 emissions typically contain a number of gas impurities, such as nitrogen oxides, oxygen gas, and sulfur oxides. Gas impurities in CO2 can pose a significant obstacle for efficient CO2 electrolysis because they can influence the reaction and catalyst. This Minireview highlights early examples of CO2 reduction studies using mixed‐gas feeds, explores strategies to sustain CO2 reduction in the presence of gas impurities, and discusses their implications for future progress in this emerging field.
Effect graphene oxide nanostructure/tannic acid on mixed polymeric substrate‐surface modified RO membranes
Authors: Shalaby Marwa S. , Abdallah Heba , Wilken Ralph , Christoph Schmüser , Shaban Ahmed M. , Gaber Marwa H. , Sołowski Gaweł
Published: October 2022

In this work, polyamide (PA) layer of (TFC) thin‐film composite in reverse osmosis (RO) membranes are compared to facile cost‐effective lower rejection RO‐ blend membranes using graphene oxide. Polyvinyl alcohol (PVA) is cross‐linked with glutaraldehyde hydrogel and thereby showing the effect of a fixed concentration of graphene oxide (GO) at different surface modification stages. Surface grafting using methacrylic acid is performed to govern the role of the protective layer on the efficiency of the covered TFC layer as membranes performance regarding salt rejection and permeability. GO concentration of 0.25 wt% in PVA solution shows a maximum % rejection reaching 70 for 3PG and the highest permeate flux for 1PG is 45.52 LMH. While the TFC membranes T and TG have shown higher rejection percentages to reach 88.31% for 3TG of and the highest permeate flux is 30.7 LMH for 1TG and decreases to reach 24.56 LMH for 3TG. Different membrane characterizations are fulfilled through surface morphology, wettability, BET area, and adsorptive fouling. Optimized ratios for tannic acid, ZnO‐nanostructure, and graphene oxide with the mixed polymeric substrate are reached. The effect of graphene oxide in the surface grafting layer over blend and TFC membranes are presented.
Hybrid based on graphene nanoplatelets and carbon nanotubes obtained in a single‐step approach and its reinforcement effect in an epoxy matrix
Authors: Ramos‐Galicia Lourdes , Pérez‐Ramírez Eduardo E. , Velasco‐Santos Carlos , Licea‐Jiménez Liliana , Martínez‐Hernández Ana L. , Pérez‐García Sergio A. , López‐Ortiz Alejandro
Published: October 2022

A hybrid based on graphene nanoplatelets and carbon nanotubes (G‐CNT) is obtained through direct exfoliation of graphite in a liquid medium, and tested as reinforcement material in epoxy resin. CNT act as exfoliation material in contact with graphite under ultrasound irradiation, and the thickness of graphite decreases to produce graphene nanoplatelets in an easy one‐step method. The morphology of the hybrid, is observed through transmission electron microscopy micrographs exhibiting delamination of graphite. XRD, UV–vis, and atomic force microscopy (AFM) results provide evidence of the exfoliation of graphite by interaction with CNT. Ultrasonic process does not generate additional oxygenated groups on carbon structures, as it is supported by XPS spectra; and the disorder in the carbon structures detected in Raman spectra is attributed to defects originated by some fragmentations. Epoxy nanocomposites incorporating 0.3 wt% of G‐CNT display the highest enhancement in storage modulus (~2706 MPa), glass transition region increases meaning higher thermal stability, and glass transition temperature increases until 119°C. Impact resistance also enhances with 0.3 wt% of G‐CNT, obtaining ~95% of increment. The hybrid obtained by exfoliating graphite with CNT in one‐step improves the performance of nanocomposites, and it offer an easy and viable alternative to obtain hybrid systems.
The path to kina convertibility: An analysis of Papua New Guineaʼs foreign exchange market
Authors: Davies Martin , Schröder Marcel
Published: October 2022

Papua New Guinea (PNG) has faced a foreign exchange (forex) shortage since 2015. The Bank of PNG has resorted to forex rationing to protect reserves, leading to a large backlog of orders and import compression. This paper surveys the structure of PNGʼs forex market and analyses recent market conditions. We argue that a real exchange rate depreciation is required to restore currency convertibility. We develop a forex market model that features a backlog of unmet orders which suggests that a frontloaded depreciation is preferred to an often‐favored gradual adjustment. Empirical results indicate that the governmentʼs large budget deficits have contributed to the forex shortage, highlighting the need for greater fiscal restraint. In the longer term, we argue for more exchange rate flexibility and forex allocation through competitive auction.
Synthesis and evaluation of novel xanthene‐based thiazoles as potential antidiabetic agents
Authors: Naseem Saira , Shafiq Zahid , Taslimi Parham , Hussain Saghir , Taskin‐Tok Tugba , Kisa Dursun , Saeed Aamer , Temirak Ahmed , Tahir Muhammad N. , Rauf Khawar , El‐Gokha Ahmed
Published: October 2022

A series of xanthene‐based thiazoles was synthesized and characterized by different scpectroscopic methods, i.e. Proton nuclear magnetic resonance (1H NMR), carbon nuclear magnetic resonance (13C NMR), infrared spectroscopy, carbon hydrogen nitrogen analysis, and X‐ray crystallography. The inhibition potencies of 18 newly synthesized thiazole derivatives were investigated on the activities of acetylcholinesterase (AChE), butyrylcholinesterase (BChE), α‐amylase (α‐Amy), and α‐glycosidase (α‐Gly) enzymes in accordance with their antidiabetic and anticholinesterase ability. The synthesized compounds have the highest inhibition potential against the enzymes at low nanomolar concentrations. Among the 18 newly synthesized molecules, 3b and 3p were superior to the known commercial inhibitors of the enzymes and have a much more effective inhibitory potential, with IC50: 2.37 and 1.07 nM for AChE, 0.98 and 0.59 nM for BChE, 56.47 and 61.34 nM for α‐Gly, and 152.48 and 124.84 nM for α‐Amy, respectively. Finally, the optimized 18 compounds were subjected to molecular docking to describe the interaction between thiazole derivatives and AChE, BChE, α‐Amy, and α‐Gly enzymes in which important interactions were monitored with amino acid residues of each target enzyme.
E‐Learning‐Kurs „Building Simulation in Design and Operation“ – Serie: Gebäudesimulation und Berechnungstools in der Lehre
Authors: Hoffmann Sabine
Published: October 2022

Diese Artikelserie stellt den Einsatz von Computerprogrammen in der Hochschullehre der Bauphysik und Gebäudetechnik für Architekten und Bauingenieure vor.

An der TU Kaiserslautern wird der E‐Learning‐Kurs „Building Simulation in Design and Operation” für die Master‐Studierenden im Studiengang „Immobilien und Facilities – Management und Technik” angeboten und ist dort im Pflicht‐Curriculum verankert. Darüber hinaus können Studierende des Bauingenieurwesens und des Umweltingenieurwesens den Kurs als Wahlpflichtfach belegen. Der Fokus wird auf das Durchführen von Parametervariationen auf Basis von fertigen Modellen gelegt.
Entwicklung eines Modells zur Bewertung der Umwelteigenschaften üblicher Putze und Mörtel
Authors: Vega‐Garcia Pablo , Schwerd Regina , Helmreich Brigitte
Published: October 2022

Gemäß der Bauproduktenverordnung der Europäischen Union (EU‐BauPVO) müssen Baustoffe und Bauwerke derart gestaltet sein, dass sie während ihres gesamten Lebenszyklus keine übermäßig hohen negativen Auswirkungen auf die Umwelt haben. Ziel der hier vorgestellten Arbeit war es daher, ein Modell zu entwickeln, mit dem eine Bewertung der Umwelteigenschaften von mineralischen Außenputzen und ‐mörteln vorgenommen werden kann. Als Grundlage bzw. zur Validierung wurde eine umfangreiche Datenbasis verwendet, die in 10 Jahren Feld‐ und Laborexperimenten am Fraunhofer‐Institut für Bauphysik IBP aufgebaut wurde. Das Ergebnis ist ein dreistufiges Modell. In „Level 1” werden die Wassermengen berechnet, die von einer Fassade mit einem bestimmten mineralischen Putz oder Mörtel ablaufen. In „Level 2” werden dann ausgelaugte anorganische Stoffe und deren Konzentrationen im Abflusswasser identifiziert. Als letzter Schritt erfolgt in „Level 3” die Bewertung des Umweltrisikos mittels einer Sickerwasserprognose. Es konnte gezeigt werden, dass von den Stoffen, die bei Regenereignissen aus den untersuchten Putzen und Mörteln ausgewaschen werden, v. a. Vanadium, Chrom und Blei in relevanten Konzentrationen im Fassadenablauf auftreten können. Die Auswertung der Sickerwasserprognose ergab jedoch, dass unter üblichen Anwendungsszenarien nicht mit Grenzwertüberschreitungen am Ort der Beurteilung im Grundwasser zu rechnen ist.
Comparison of two video prompting interventions to teach daily living skills to adolescents with autism
Authors: Wertalik Jennifer L. , Kubina Richard M.
Published: October 2022

The present study used an adapted alternating treatment design to evaluate and compare the effects of video prompting (VP) and video prompting plus frequency building (VP + FB) to teach daily living skills to three adolescents with autism spectrum disorder. Results demonstrated all three students made substantial improvements over their baseline performance using VP and VP + FB. Furthermore, a strong intervention effect emerged for VP and VP + FB conditions when compared to the control task. However, in terms of one intervention proving superior to the other (e.g., VP to VP + FB), the data offer a mixed interpretation with VP + FB affecting changes better for two of the three students. The FB component in the VP + FB produced strong, consistent gains for all students in terms of retention.
An automated system with a versatile test oracle for assessing student programs
Authors: Tang Chung M. , Yu Yuen T. , Poon Chung K.
Published: October 2022

Automated program assessment systems have been widely adopted in many universities. Many of these systems judge the correctness of student programs by comparing their actual outputs with predefined expected outputs for selected test inputs. A common weakness of such systems is that student programs would be marked as incorrect as long as their outputs deviate from the predefined ones, even if the deviations are only minor, insignificant, and considered acceptable by a human assessor that the programs have satisfied the specifications. This critical weakness caused undue frustration to students and undesirable pedagogical consequences that undermine these systems’ benefits. To address this issue, we developed an improved mechanism for program output comparison to serve as a versatile test oracle that brings the results of automated assessment much closer to those of human assessors. We evaluated the new mechanism in real programming classes using an existing automated program assessment system. We found that the new mechanism achievedzerofalse‐positive error (did not wrongly accept any incorrect output) and very low (0%–0.02%) false‐negative error (that wrongly rejected correct outputs), with very high accuracy (99.8%–100%) in correctly recognizing outputs deemed acceptable by instructors. This represents a major improvement over an existing assessment mechanism, which had 56.4%–64.1% false‐negative error with an accuracy of 25.4%–40.9%. Moreover, about 67%–96% of students achieved their best results in their first attempt, which could be encouraging to them and reduce their frustration. Furthermore, students generally welcomed the new assessment mechanism and agreed it was beneficial to their learning.
Hiring independent contractors can insulate Title IX proceedings
Authors: Lyerly Eric
Published: October 2022

Colleges and universities frequently find themselves on the receiving end of accusations of gender bias in internal Title IX proceedings. Many cases alleging gender bias highlight public pressure on the institution (typically from the student body or a government entity) to respond aggressively to complaints of sexual assault by male students. These allegations have become more common as colleges and universities have sought to respond to the #MeToo movement and “Dear Colleague Letters” related to sexual violence and harassment.
Review recent rulings involving gender bias and Title IX
Authors: Lyerly Eric
Published: October 2022

An overview of the key topics faced by campus administrators with citations to noteworthy cases, statutes, regulations, and additional sources.
Remote assessment of cognitive dysfunction in hematologic malignancies using web‐based neuropsychological testing
Authors: Franco‐Rocha Oscar Y. , Mahaffey Misty L. , Matsui William , Kesler Shelli R.
Published: October 2022

Background

Cognitive impairment is a frequent adverse effect of cancer and its therapies. As neuropsychological assessment is not often standard of care for patients with non‐CNS disease, efficient, practical assessment tools are required to track cognition across the disease course. We examined cognitive functioning using a web‐based cognitive testing battery to determine if it could detect differences between patients with cancer and controls.

Methods

We enrolled 22 patients with multiple myeloma (MM) or non‐Hodgkin lymphoma (NHL) and 40 healthy controls (mean age = 56 ± 11 years, 52% male). Participants completed the BrainCheck cognitive testing battery and online versions of select measures from the Patient Reported Outcome Measures Information System (PROMIS) during a video conference. MANOVA was used to compare BrainCheck and PROMIS scores between groups controlling for age and sex. An exploratory linear regression analysis was conducted within the cancer group to determine potential contributors to cognitive functioning.

Results

All participants except for one control completed the online assessment measures without difficulty. Compared to controls, the cancer group demonstrated significantly lower scores in objective and subjective cognitive function, physical functioning, and social role performance and elevated fatigue scores. Corticosteroid treatment, immunotherapy, lower physical functioning, lower income, and older age significantly contributed to lower cognitive function (adjusted R2 = 0.925, F = 19.63, p = 0.002).

Conclusion

Remote assessment of cognitive and psychosocial functioning is feasible with patients with cancer following treatments. The BrainCheck cognitive testing battery has the potential to detect differences in cognition between patients with cancer and controls.
Motivating consumers for health and fitness: The role of app features
Authors: Stancu Violeta , Frank Darius‐Aurel , Lähteenmäki Liisa , Grunert Klaus G.
Published: October 2022

Smartphone apps can create value for consumers by supporting their health goals. The purpose of the study was to reveal people's preferences for Self‐Determination theory derived app features of health‐related apps that can potentially promote motivation and sustained use of such apps. Three discrete choice experiments, followed by a ranking task, were used to assess consumer preferences for specific app features that can support the basic needs for autonomy, competence and relatedness among respondents from Germany and Spain (N = 719). Participants preferred the autonomy supporting app features, namely making changes to the menu recommendations or self‐selecting their rewards. The competence supporting features of levels of progress and feedback that provided encouragement together with facts were preferred across countries; however, presenting the feedback in a dynamic display was disliked in Germany. The relatedness supporting feature, presence of an anthropomorphic cue with the menu recommendations, was preferred in Germany but disliked in Spain. Health and fitness apps can benefit from including features that bring value to consumers by responding to their psychological needs and help them achieve their health goals. Allowing choice flexibility in app recommendations, providing feedback that is encouraging in addition to informative, and including gamification elements in health apps, can respond to consumer preferences and thereby increase engagement with apps. The study contributes to understanding how the theoretically derived features of health apps can be included in the design of apps to match consumer preferences.
Immobilization and Application of Fatty Acid Photodecarboxylase in Deep Eutectic Solvents
Authors: Chanquia Santiago Nahuel , Benfeldt Frederik Vig , Petrovai Noémi , Santner Paul , Hollmann Frank , Eser Bekir Engin , Kara Selin
Published: October 2022

Since its discovery in 2017, the fatty acid decarboxylase (FAP) photoenzyme has been the focus of extensive research, given its ability to convert fatty acids into alka(e)nes using merely visible blue light. Unfortunately, there are still some drawbacks that limit the applicability of this biocatalyst, such as poor solubility of the substrates in aqueous media, poor photostability, and the impossibility of reusing the catalyst for several cycles. In this work, we demonstrate the use of FAP in non‐conventional media as a free enzyme and an immobilized preparation. Namely, its applicability in deep eutectic solvents (DESs) and aproof‐of‐conceptimmobilization using a commercial His‐tag selective carrier, a thorough study of reaction and immobilization conditions in each case, as well as reusability studies are shown. We observed an almost complete selectivity of the enzyme towards C18 decarboxylation over C16 when used in a DES, with a product analytical yield up to 81 % when using whole cells. Furthermore, when applying the immobilized enzyme in DES, we obtained yields >10‐fold higher than the ones obtained in aqueous media.
Highly Cytotoxic Molybdenocenes with Strong Metabolic Effects Inhibit Tumour Growth in Mice
Authors: Fuchs Valentin , Cseh Klaudia , Hejl Michaela , Vician Petra , Neuditschko Benjamin , Meier‐Menches Samuel M. , Janker Lukas , Bileck Andrea , Gajic Natalie , Kronberger Julia , Schaier Martin , Neumayer Sophie , Köllensperger Gunda , Gerner Christopher , Berger Walter , Jakupec Michael A. , Malarek Michael S. , Keppler Bernhard K.
Published: October 2022

A series of six highly lipophilic Cp‐substituted molybdenocenes bearing different bioactive chelating ligands was synthesized and characterized by NMR spectroscopy, mass spectrometry and X‐ray crystallography. In vitro experiments showed a greatly increased cytotoxic potency when compared to the non‐Cp‐substituted counterparts. In vivo experiments performed with the dichlorido precursor, (Ph2C−Cp)2MoCl2 and the in vitro most active complex, containing the thioflavone ligand, showed an inhibition of tumour growth. Proteomic studies on the same two compounds demonstrated a significant regulation of tubulin‐associated and mitochondrial inner membrane proteins for both compounds and a strong metabolic effect of the thioflavone containing complex.
Geometry‐driven coalescence of water droplets in a highly viscous fluid
Authors: Shayunusov Doston , Eskin Dmitry , Zeng Hongbo , Nikrityuk Petr
Published: October 2022

This work is dedicated to numerical studies of the coalescence of water droplets moving in bitumen. The Navier–Stokes equations coupled with the volume of fluid model (VOF) using adaptive grids techniques, available in the commercial computational fluid dynamics (CFD) software Ansys Fluent 20R2, were solved numerically to investigate the behaviour of water droplets with diameters from 1 to 100 μm moving in rapidly converging and diverging microchannels of different sizes. The model has been validated against 3‐D experimental data published in the literature. A good agreement has been demonstrated. The results of simulations revealed that the main parameter influencing coalescence is the bulk flow velocity in the channel. Analysis of unsteady simulations showed the existence of a critical flow velocity, above which no coalescence occurs, corresponding to capillary number Ca < 0.5 for droplets Reynolds number Re < 0.1. Besides, image processing analysis has been used for a mean droplet size estimation in different geometries. A mean size significantly increased due to the late coalescence occurring in a wider constriction.