bluuebunny/crossref_metadata_2025_split huggingface dataset:
Evaluation of 3‐ and 4‐Phenoxybenzamides as Selective Inhibitors of the Mono‐ADP‐Ribosyltransferase PARP10
Authors: Korn Patricia , Classen Arno , Murthy Sudarshan , Guareschi Riccardo , Maksimainen Mirko M. , Lippok Barbara E. , Galera‐Prat Albert , Sowa Sven T. , Voigt Catharina , Rossetti Giulia , Lehtiö Lari , Bolm Carsten , Lüscher Bernhard 
Published: June 2021

AbstractIntracellular ADP‐ribosyltransferases catalyze mono‐ and poly‐ADP‐ribosylation and affect a broad range of biological processes. The mono‐ADP‐ribosyltransferase PARP10 is involved in signaling and DNA repair. Previous studies identified OUL35 as a selective, cell permeable inhibitor of PARP10. We have further explored the chemical space of OUL35 by synthesizing and investigating structurally related analogs. Key synthetic steps were metal‐catalyzed cross‐couplings and functional group modifications. We identified 4‐(4‐cyanophenoxy)benzamide and 3‐(4‐carbamoylphenoxy)benzamide as PARP10 inhibitors with distinct selectivities. Both compounds were cell permeable and interfered with PARP10 toxicity. Moreover, both revealed some inhibition of PARP2 but not PARP1, unlike clinically used PARP inhibitors, which typically inhibit both enzymes. Using crystallography and molecular modeling the binding of the compounds to different ADP‐ribosyltransferases was explored regarding selectivity. Together, these studies define additional compounds that interfere with PARP10 function and thus expand our repertoire of inhibitors to further optimize selectivity and potency.
Research on the fire safety effect of thermoplastic polyurethane elastomer based on sodium fumarate
Authors: Wei Zhibiao , Chen Xilei , Jiao Chuanmei , Ma Mingliang 
Published: June 2021

AbstractSodium fumarate (SF, C4H3NaO4), as a low‐cost and environment‐friendly additive, has been applied as the fire safety agent to investigate the flame retardancy and smoke suppression property in thermoplastic polyurethane elastomer (TPU). A series of tests were carried out, including limiting oxygen index (LOI), cone calorimeter test (CCT), smoke density test (SDT), and thermogravimetric/Fourier transform infrared spectroscopy (TG‐IR). The results proved that the addition of SF can significantly improve the fire safety property of TPU. Remarkably, in the case of the sample containing 2.0 wt% SF, LOI was raised up to 27.5 compared with 21.0 of pure TPU. The CCT results showed that pHRR, THR, TSR, and SF values decreased by 60.1%, 17.0%, 44.6%, and 66.4%, respectively, while the residual mass increased from 3.0% to 12.3% compared with pure TPU. The digital photographs displayed a more compact and intense carbon layer after the addition of SF. The SDT results indicated SF has increased the luminous flux and reduced Ds values, implying the improvement of the smoke suppression property of TPU. TG and TG‐IR results showed that the addition of SF has promoted the char forming process and reduced the release of CO2 and other volatile compounds. All results of tests illustrated that SF has considerable fire safety effect on TPU. Through the analysis of the results of this experiment, it will make a significance in the aspect of fire safety of polymer.
Investigation of the effect of water absorption on thermomechanical and viscoelastic properties of flax‐hemp‐reinforced hybrid composite
Authors: Saha Abir , Kumar Santosh , Zindani Divya 
Published: June 2021

AbstractThe recent development of natural fiber‐reinforced polymer composites have shown innumerable economic and environmental benefits for a vast array of engineering applications. It is quintessential to investigate the effect of water absorption on the composites that remain in the water for a maximum of their intended service period. This study is an effort in this direction that investigates the effect of water absorption on thermo‐mechanical properties of flax‐hemp‐reinforced epoxy composites fabricated using compression hand layup technique with different weight fraction of fiber. The fabricated composites have been characterized physically (density and water absorption), thermo‐mechanically (tensile, flexural, thermal conductivity, and dynamical mechanical analysis), and morphologically (scanning electron microscopy [SEM]). The analysis revealed that hemp‐reinforced composites (S1) had the highest water absorption capabilities in comparison to the flax‐reinforced composites (S5). Higher water absorption capability had an adverse effect on the mechanical properties of fabricated composites. However, hybrid composites (S2, S3, and S4) reported better performance with regard to S1. The increased water content, however, increased the thermal conductivity of composites and maximum has been revealed for S1 (0.82 W/mK) and minimum for S5 (0.48 W/mK). The water molecules showed detrimental effects on the viscoelastic properties and revealed S3 have better interlocking bond with the lowest reduction in storage modulus (12%) and glass transition temperature (4°C) in comparison to S1 (30%) under wet conditions. A comparative analysis of the thermo‐mechanical properties was also made for developed composites under dry, saturated, and re‐dried conditions. The SEM has been used to characterize the morphological and fracture behavior of the fabricated composites under the influence of water uptake. The effects of water molecules on the hygrothermal aging index and diffusion co‐efficient have also been discussed. Overall, the hybridization of flax with hemp fiber showed better results over the hemp fiber‐reinforced composites (S1).
Mechanical performance of a novel environmentally friendly basalt‐elium® thermoplastic composite and its stainless steel‐based fiber metal laminate
Authors: Yaghoobi Hessameddin , Taheri Farid 
Published: June 2021

AbstractA comparative performance study is conducted to better understand the mechanical performance of an environmentally friendly composite and its fiber‐metal laminate (FML) renditions developed with natural fibers (basalt), and a novel room‐cured liquid methyl methacrylate thermoplastic resin (Elium®) and also by a widely used room‐cured epoxy resin (West System). Mechanical characterizations are performed using tensile, buckling and flexural tests. The results indicate that the composites fabricated with the acrylic‐based Elium matrix could be considered as effective alternatives to those produced by thermoset epoxy resins. Moreover, the mechanical properties of a new generation of thermoplastic fiber metal laminates (TP‐FMLs) fabricated by vacuum‐assisted resin infusion technique are also investigated. The TP‐FMLs are fabricated using stainless steel sheets, basalt fabric and Elium. Two different procedures are considered for fabricating the TP‐FMLs; a one‐step process consuming 24 h curing cycle time and a two‐step process with 72 h curing cycle time. The mechanical responses of the developed TP‐FMLs are compared against their equivalent monolithic environmentally friendly basalt‐Elium counterparts, demonstrating the gain in mechanical responses that could be attained by employing the TP‐FMLs.
Polypharmacy and the risk of drug–drug interactions and potentially inappropriate medications in hospital psychiatry
Authors: Wolff Jan , Hefner Gudrun , Normann Claus , Kaier Klaus , Binder Harald , Hiemke Christoph , Toto Sermin , Domschke Katharina , Marschollek Michael , Klimke Ansgar 
Published: June 2021

AbstractPurposeThe aim of this study was to analyze the epidemiology of polypharmacy in hospital psychiatry. Another aim was to investigate predictors of the number of drugs taken and the associated risks of drug–drug interactions and potentially inappropriate medications in the elderly.MethodsDaily prescription data were obtained from a pharmacovigilance project sponsored by the Innovations Funds of the German Federal Joint Committee.ResultsThe study included 47 071 inpatient hospital cases from eight different study centers. The mean number of different drugs during the entire stay was 6.1 (psychotropic drugs = 2.7; others = 3.4). The mean number of drugs per day was 3.8 (psychotropic drugs = 1.6; others = 2.2). One third of cases received at least five different drugs per day on average during their hospital stay (polypharmacy). Fifty‐one percent of patients received more than one psychotropic drug simultaneously. Hospital cases with polypharmacy were 18 years older (p < 0.001), more likely to be female (52% vs. 40%,p < 0.001) and had more comorbidities (5 vs. 2,p < 0.001) than hospital cases without polypharmacy. The risks of drug–drug interactions (OR = 3.7; 95% CI = 3.5–3.9) and potentially inappropriate medication use in the elderly (OR = 2.2; CI = 1.9–2.5) substantially increased in patients that received polypharmacy.ConclusionPolypharmacy is frequent in clinical care. The number of used drugs is a proven risk factor of adverse drug reactions due to drug–drug interactions and potentially inappropriate medication use in the elderly. The potential interactions and the specific pharmacokinetics and ‐dynamics of older patients should always be considered when multiple drugs are used.
Lab‐scale feasibility study on new elastomer comprising chloroprene and acrylonitrile for oil and gas applications
Authors: De Sarkar Mousumi , Sunada Takashi , Kondo Atsunori 
Published: June 2021

AbstractThe limited options of suitable elastomers with adequate cost‐performance balance drive the necessity to introduce new materials in the oil & gas (O&G) application space. The relevance of a recently developed copolymer of chloroprene and acrylonitrile (referred to as acrylonitrile–chloroprene rubber or NCR) to O&G applications is described in this technical contribution. The new elastomer demonstrates adequate physical properties and reasonably good high and low‐temperature capabilities. It offers good resistance to several aqueous and non‐aqueous fluids with low volume swelling and retains its physical properties to reasonable extents while exposed to hot test oils. Acrylonitrile–chloroprene rubber has been found to sustain “sour gas” exposure. Good abrasion resistance, high tear strength, and remarkably high flex‐fatigue resistance coupled with low heat build‐up reflect its durability under dynamic conditions. In addition, acrylonitrile–chloroprene rubber can very well withstand the rapid gas decompression test at 25°C. This unique combination of attributes may allow acrylonitrile–chloroprene rubber to be considered as a candidate material for high‐performance O&G applications.
Bottom‐up and top‐down proteomic approaches for the identification, characterization, and quantification of the low molecular weight proteome with focus on short open reading frame‐encoded peptides
Authors: Cassidy Liam , Kaulich Philipp T. , Maaß Sandra , Bartel Jürgen , Becher Dörte , Tholey Andreas 
Published: June 2021

AbstractThe recent discovery of alternative open reading frames creates a need for suitable analytical approaches to verify their translation and to characterize the corresponding gene products at the molecular level. As the analysis of small proteins within a background proteome by means of classical bottom‐up proteomics is challenging, method development for the analysis of small open reading frame encoded peptides (SEPs) have become a focal point for research. Here, we highlight bottom‐up and top‐down proteomics approaches established for the analysis of SEPs in both pro‐ and eukaryotes. Major steps of analysis, including sample preparation and (small) proteome isolation, separation and mass spectrometry, data interpretation and quality control, quantification, the analysis of post‐translational modifications, and exploration of functional aspects of the SEPs by means of proteomics technologies are described. These methods do not exclusively cover the analytics of SEPs but simultaneously include the low molecular weight proteome, and moreover, can also be used for the proteome‐wide analysis of proteolytic processing events.
Absorption and fluorescence spectra of conjugated polymers poly(propylene oxide)–poly(phenylene ethynylene) interpreted by Franck–Condon simulation
Authors: Tang Hao , Wang Chen Wen , Gu Feng Long , Zhu Chaoyuan 
Published: June 2021

AbstractAbsorption and fluorescence spectra of the poly(propyleneoxide)–poly(phenylene ethynylene) with long polymer chains in the experiment are investigated by the Franck–Condon simulation with small polymer chains in the theory. Electronic calculations with time‐dependent density functional (TDDFT) indicate that vibronic spectra come from S1(ππ*) excitation and de‐excitation. Good agreement between Franck–Condon simulated and experimentally measured absorption and fluorescence spectra in three kinds of solutions is achieved. However, vibronic spectral analysis reveals that vibronic motion mechanisms are quite different for simulated absorption and fluorescence spectra. For absorption spectra, vibronic spectra are dominated by one most active mode localized in triple bond carbon–carbon stretch motion on backbone of the poly (phenylene ethynylene), and simulated absorption spectra indicate that the long chains can be as stable as short chains on the electronic ground state in comparison with experimental spectra in all solvents. In the case of fluorescence spectra, this most active mode is spitting into several equally active modes with very close values in vibrational frequencies, and thus, the spitting modes and mode couplings among those spitting dominate vibronic spectra. Simulated fluorescence spectra indicate that the only short chains are stable on the electronic excited state in comparison with experimental spectra in all solvents. Nevertheless, the present simulation concludes that both absorption and fluorescence spectra are induced mostly by the active normal mode in triple bond carbon–carbon stretch motion on backbone of poly(phenylene ethynylene). The present work provides physical insight for analyzing observed vibronic spectra of similar conjugated polymers and for designing novel optoelectronic materials.
Improvement of the adhesive capacity of SBR for footwear outsoles by surface activation and coating deposition with atmospheric pressure plasma
Authors: Múgica‐Vidal Rodolfo , Mercadal‐Guillén Juan , Alba‐Elías Fernando , Sainz‐García Elisa 
Published: June 2021

AbstractLooking for a cleaner alternative to halogenation in the preparation of rubber for bonding with leather in footwear, atmospheric pressure plasma treatments were applied on styrene–butadiene rubber (SBR). Its adhesive capacity was improved and the highest bond strength standards for footwear were met. Two optimal processes were identified: (1) Plasma polymerization of (3‐aminopropyl)triethoxysilane coatings on flat SBR and (2) plasma‐activation of mechanically roughened SBR. The improvement on coated, flat SBR was mainly due to its surface chemistry having greater concentrations of polar carbon–oxygen species than the untreated SBR. For plasma‐activated, mechanically roughened SBR, combined contributions of mechanical roughening and roughening by plasma irradiation were found. Coating flat SBR at 100 mm/s showed the best balance between improved bond strength and durability.
In Situ Self‐Assembly of Quantum Dots at the Plasma Membrane Mediates Energy Transfer‐Based Activation of Channelrhodopsin
Authors: Nag Okhil K. , Muroski Megan E. , Field Lauren D. , Stewart Michael H. , Oh Eunkeu , Susumu Kimihiro , Spangler Joseph R. , Walper Scott A. , Delehanty James B. 
Published: June 2021

AbstractThe use of nanoparticle (NP) bioconjugates to control the activity of membrane ion channels has recently emerged as a new paradigm for the activation of electrically excitable cells. An NP‐based strategy is reported for the specific activation of channelrhodopsin C1V1 (ChR‐C1V1) expressed in the plasma membrane of HEK 293T/17 cells. Hydrophilic CdSe/ZnS core–shell semiconductor quantum dots (QDs) are self‐assembled to the exofacial face of recombinantly expressed ChR‐C1V1 by metal affinity‐driven interaction of the QD ZnS shell with an N‐terminal hexahistidine tag displayed on ChR‐C1V1. This configuration enables the Förster resonance energy transfer (FRET)‐based excitation and activation of the 11‐cis‐retinal moiety of ChR‐C1V1 using the QD as a light harvesting transducer/energy donor. It is shown that the specific laser‐induced opening of the ChR‐C1V1 channel wherein the photoexcited QD (405 nm excitation, 530 nm emission) iteratively activates ChR‐C1V1 channels as confirmed using the voltage‐sensitive dye (VSD) bis‐(1,3‐diethylthiobarbituric acid)trimethine oxonol (DiSBAC2(3)). In the absence of the QD transducer, excitation of ChR‐C1V1‐expressing cells at 405 nm results in no activation of ChR‐C1V1. The results demonstrate the ability to controllably interface QDs with living cells for the activation of ChR membrane proteins and detail a new NP‐bioconjugate hybrid system for the specific activation of ion channels.
Potential inoculum sources of Fusarium species involved in asparagus decline syndrome and evaluation of soil disinfestation methods by qPCR protocols
Authors: de la Lastra Eduardo , Marín‐Guirao José I , López‐Moreno Francisco J , Soriano Teresa , de Cara‐García Miguel , Capote Nieves 
Published: June 2021

AbstractBACKGROUNDAsparagus decline syndrome (ADS), one of the most important diseases affecting asparagus crops, causes important yield losses worldwide. Fusarium proliferatum, F. oxysporum and F. redolens are among the main species associated with ADS. To explore their potential inoculum sources and the effectiveness of soil disinfestation practices for ADS management, molecular methods based on a quantitative real‐time polymerase chain reaction (qPCR) were developed. qPCR‐based molecular tools demonstrated advantages in the sensitive and specific detection and quantification of fungal pathogens in comparison with less‐accurate and time‐consuming traditional culture methods.RESULTSF. proliferatum, F. oxysporum and F. redolens could be specifically detected and accurately quantified in asparagus plants, soil and irrigation water collected from asparagus fields with ADS symptoms by means of the designed TaqMan qPCR protocols. Furthermore, these molecular tools were successfully applied for evaluation of the efficacy of diverse soil disinfestation treatments. Chemical fumigation with dazomet and biosolarization with pellets of Brassica carinata contributed to a significant reduction in the inoculum densities of the three Fusarium species in treated soils, which was correlated with production increases.CONCLUSIONSThe capability to accurately detect and quantify the main Fusarium species involved in ADS in plants, soil and water samples by means of qPCR will allow identification of high‐risk fields that can be avoided or managed to reduce yield losses. Quantification of pathogen densities in the soil may also provide essential insights into the effectiveness of soil disinfestation methods for ADS management. © 2021 Society of Chemical Industry.
Observation of the Out‐of‐Plane Polarized Spin Current from CVD Grown WTe2
Authors: Shi Shuyuan , Li Jie , Hsu Chuang‐Han , Lee Kyusup , Wang Yi , Yang Li , Wang Junyong , Wang Qisheng , Wu Hao , Zhang Wenfeng , Eda Goki , Liang Gengchiau , Chang Haixin , Yang Hyunsoo 
Published: June 2021

AbstractWeyl semimetal Td‐phase WTe2 possesses the spin‐resolved band structure with strong spin–orbit coupling, holding promises as a useful spin source material. The noncentrosymmetric crystalline structure of Td‐WTe2 endows the generation of the out‐of‐plane polarized spin, which is of great interest in magnetic memory applications. Previously, WTe2 was explored in spin devices based on mechanically exfoliated single crystal flakes with a size of micrometers. For practical spintronics applications, it is highly desirable to implement wafer‐scale thin films. In this work, centimeter‐scale chemical vapor deposition (CVD) grown Td‐WTe2 thin films are used and the spin current generation is studied by the spin torque ferromagnetic resonance (ST‐FMR) technique. The in‐plane and out‐of‐plane spin conductivities of 7.36 × 103 () (Ωm)–1 and 1.76 × 103 () (Ωm)–1, respectively, are found in CVD‐growth 5 nm‐WTe2. The current‐induced magnetization switching in WTe2/NiFe is demonstrated at room temperature in the domain wall motion regime, which may invigorate potential spintronic device innovations based on Weyl semimetals.
Waste from Argentometric Determination of Chloride as a Source of Silver in the Synthesis of p‐Hydroxybenzoic Acid Capped Silver Nanoparticles
Authors: Gusrizal Gusrizal , Zaharah Titin Anita , Shofiyani Anis , Santosa Sri Juari 
Published: June 2021

AbstractThis paper describes the utilization of waste from the argentometric determination of chloride in a chemistry teaching laboratory as a source of silver for the synthesis of p‐hydroxybenzoic acid capped silver nanoparticles (AgNPs). All white and red‐brick precipitates in the waste were first separated from the liquid and converted to silver chloride precipitate by washing the precipitates using hydrochloride acid 0.1 M. The silver chloride precipitate was then converted to diammineargentate complex ion by dissolving it into an ammonia solution. The conversion was successfully conducted by using 50 moles of ammonia for every mole of silver chloride. The formation of AgNPs was optimum by applying diammineargentate complex ion and p‐hydroxybenzoic acid solutions at a molar ratio of 1 : 10. The formed AgNPs showed a yellow color and absorption peak at around 420 nm with an average particle size of 26.4 nm. The as‐synthesized AgNPs were stable at least 16 weeks of storage, indicating that p‐hydroxybenzoic acid did not only act as a reducing agent but also play a role as a capping agent.
One‐Pot Solvothermal Synthesis of Flower‐Like S‐Doped BiOCl for Enhanced Photocatalytic Property in Dye Degradation and Nitrogen Fixation
Authors: Wang Hongjuan , Hua Chenghe , Lan Meng , Zheng Nan , Dong Xiaoli , Ma Hongchao , Zhang Xiufang 
Published: June 2021

AbstractNowadays, environmental pollution and energy shortage have aroused people‘s wide concern. Here we report that S‐doped BiOCl photocatalyst was successfully fabricated via a simple solvothermal process. The as‐obtained S‐doped BiOCl photocatalysts were investigated by X‐ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X‐ray photoemission spectroscopy (XPS), nitrogen adsorption‐desorption, UV/Vis diffuse reflectance (DRS), and photoluminescence (PL) emission spectra. The photocatalytic performance of the S‐doped BiOCl photocatalyst with different S contents was evaluated by the photocatalytic degradation of cationic dye (Rhodamine‐B (RhB)) and anionic dye (Congo red (CR)). The results reveal that all the S‐doped BiOCl samples possess better photocatalytic activity than pure BiOCl. Specifically, the degradation rate of S(6 %)‐BiOCl sample for RhB and CR was 99 % and 90 %, respectively. Meanwhile, the photocatalytic nitrogen fixation performance of the S‐doped BiOCl sample was investigated. The results show that the S(6 %)‐BiOCl sample possesses an excellent NH3 yield of 108.6 μmol g−1 h−1. Moreover, the S(6 %)‐BiOCl catalysts have excellent recyclability and stability. This work provides a facile and accessible pathway to design effective photocatalysts for both photocatalytic degradation and nitrogen fixation.