bluuebunny/crossref_metadata_2025_split huggingface dataset:
Catalyst Droplet‐Based Puncturable Nanostructures with Mechano‐Bactericidal Properties Against Bioaerosols
Authors: Lee Inae , Kim Jieun , Kwak Rhokyun , Lee Joonseok 
Published: March 2023

AbstractBioaerosol contamination problems have led to the need for new technologies that effectively collect and inactivate airborne microorganisms. Typical nanomaterial‐based filter membranes are usually sterilized using photocatalysts, electrical stimulation, and thermal treatment, which are expensive and require additional devices and cumbersome manufacturing. In this study, a membrane with nanotopographical features is manufactured via a catalyst droplet‐based procedure to mechanically damage airborne bacteria. The catalyst droplets are used as templates for in situ novel puncturable nanopillar growth on the membrane surface. Numerical simulations and microscopic observations show that puncturable nanopillars with a thin and rough nano‐edge are advantageous for rupturing the bacterial cell compared to flat nanopillars without a thin edge. A puncturable nanostructured air filter (PNAF) is compared to a bare air filter and exhibits higher bioaerosol collection efficiencies (>98% and 89.3–95.7%, respectively). PNAF is tested under breathing conditions as part of a face mask, where it effectively captures and deactivates E. coli aerosols through a mechano‐bactericidal effect, resulting in the inhibition of bacterial proliferation and finally death. Thus, PNAF can be applied as an air purifier or face mask filter for bioaerosol collection presenting antibacterial effects without external stimulation.
Self‐Polarized Organic–Inorganic Hybrid Ferroelectric Cathode Coatings Assisted High Performance All‐Solid‐State Lithium Battery
Authors: Li Wenru , Zhang Shu , Zheng Weijie , Ma Jun , Li Lin , Zheng Yue , Sun Deye , Wen Zheng , Liu Zhen , Wang Yaojin , Zhang Guangzu , Cui Guanglei 
Published: March 2023

AbstractFerroelectrics can significantly boost electrochemical performances of all‐solid‐state batteries by constructing built‐in electric field to reduce the space charge layer at cathode/solid‐state electrolyte interface. However, the construction mechanism of ferroelectric built‐in electric field is poorly understood. Herein, the guanidinium perchlorate (GClO4) ferroelectrics as the cathode coatings in the LiCoO2‐based all‐solid‐state lithium battery are reported, which has state‐of‐the‐art specific capacity of 210.6 mAh g−1 (91.6% of the liquid battery). Systematic studies reveal that the flexoelectric effect originating from the lattice mismatch between GClO4 and LiCoO2 gives GClO4 coatings the single‐domain state and upward self‐polarization. Consequently, a vertically downward built‐in electric field is generated relative to the cathode, which transports the lithium ions inside the electrolyte to the three‐phase interface to alleviate the space charge layer. These findings highlight that the microstructural characteristics of ferroelectric and electrode materials are the primary concern for building an effective built‐in electric field.
Ir–Ru Electrocatalysts Embedded in N‐Doped Carbon Matrix for Proton Exchange Membrane Water Electrolysis
Authors: Huynh T. B. Ngoc , Song Jihyeok , Bae Hyo Eun , Kim Youngkwang , Dickey Michael D. , Sung Yung‐Eun , Kim Myung Jun , Kwon Oh Joong 
Published: March 2023

AbstractMore active electrocatalysts for H2 and O2 evolution reactions, efficient membranes, and robust porous transport layers (PTL) are required for designing advanced proton exchange membrane water electrolysis (PEMWE) systems. An N‐doped carbon matrix is introduced in this study to surpass the existing Ti PTLs. One‐step pyrolysis results in the carbonization of polyaniline films to the N‐doped carbon matrix, simultaneous formation of desiccation cracks and IrxRuy nanoparticles, and partial impregnation of the synthesized particles into the carbon matrix. The embedded IrxRuy nanoparticles are firmly bound to the surface of the carbon matrix, inhibiting the dissolution and detachment of the nanoparticles during the O2 evolution reaction (OER). The cracks in the carbon matrix allow the steady transport of the produced O2, comparable to conventional PTLs. After optimizing the Ir and Ru contents of the nanoparticles based on the electrocatalytic performance, Ir88Ru12 embedded in the N‐doped carbon matrix is found to be the most suitable catalyst for enhancing the OER performance of the PEMWE system with negligible degradation. These findings can potentially contribute to the industrial application of PEMWE. Relevant electrochemical systems with membrane electrode assemblies, such as fuel cells and CO2 reduction systems, can be modified using the suggested structure.
Realization of 1.54‐µm Light‐Emitting Diodes Based on Er3+/Yb3+Co‐Doped CsPbCl3 Films
Authors: Li Hongfei , Liu Xiaoqi , Zhou Donglei , Dong Biao , Xu Lin , Bai Xue , Song Hongwei 
Published: March 2023

AbstractErbium ions (Er3+, 1.54 µm) electric pumped light sources with excellent optical properties and a simple fabrication process are urgently desired to satisfy the development of silicon‐based integration photonics. The previous Er‐based electroluminescence devices are mainly based on Er‐complexes or Er‐doped oxide compounds, which usually suffer from low external quantum efficiency(EQE)or high applied voltage etc. In this work, a novel type of Er3+/Yb3+ co‐doped lead‐halide perovskite films (Er3+/Yb3+:CsPbCl3) with the maximum photoluminescence quantum yield of 30.12% are prepared by a simple two‐step solution‐coating method and the corresponding light emitting diodes (Er‐PeLEDs) are fabricated, which demonstrate an almost pure 1.54‐µm emission and a peak EQE up to 0.366% at a low applied voltage of 1.4 V. Strong negative thermal quenching effect may help Er‐PeLEDs suppress Joule heating quenching. These excellent LED properties benefit mainly from the outstanding regulatory performance of acetate to perovskite films, the excellent semiconductor behavior and strong ionic property of the perovskite, and the involvement of Yb3+ ions, which can directly and efficiently transfer the exciton energy to Er3+ through a quantum cutting process. Overall, the realization of 1.54‐µm Er‐PeLEDs offers new opportunities for silicon‐based integrated light sources.
Investigation of the Few‐Layer Black Phosphorus Degradation by the Photonic Measurements
Authors: Szczerska Małgorzata , Kosowska Monika , Gierowski Jakub , Cieślik Mateusz , Sawczak Mirosław , Jakóbczyk Paweł 
Published: March 2023

AbstractFew‐layer black phosphorus (FLBP) is a 2D material that gains worldwide interest for its possible applications, mainly in electronics and optoelectronics. However, as FLBP is prone to a degradation process under environmental conditions, there is a need for a monitoring method allowing investigation of its surface quality. Among many techniques, optoelectronic ones have unique advantages of fast response, non‐contact, and non‐invasive operation. In this paper, a photonic method is presented for this purpose with a focus on the earliest stages of the degradation process. Measurements are performed using a fiber‐optic interferometer working at the wavelength of 1310 nm. Series of material characterization measurements, including scanning electron microscopy, X‐ray photoelectron spectroscopy, and Raman spectroscopy investigations are performed to examine the FLBP using a well‐established methodology. Two samples—with liquid exfoliated FLBP and with layers of supernatant—prepared in two different production processes are investigated over 3 h. A detailed presentation of the degradation process is provided. The results prove that the surface monitoring of FLBP is possible by registering optical signal changes correlated with the changes in optical parameters caused by the proceeding degradation process.
Increasing the Ionization Energy Offset to Increase the Quantum Efficiency in Non‐Fullerene Acceptor‐Based Organic Solar Cells: How Far Can We Go?
Authors: Gorenflot Julien , Alsufyani Wejdan , Alqurashi Maryam , Paleti Sri Harish Kumar , Baran Derya , Laquai Frédéric 
Published: March 2023

AbstractMolecular engineering of organic semiconductors provides a virtually unlimited number of possible structures, yet only a handful of combinations lead to state‐of‐the‐art efficiencies in photovoltaic applications. Thus, design rules that guide material development are needed. One such design principle is that in a bulk heterojunction consisting of an electron donor and lower bandgap acceptor an offset (ΔIE) of at least 0.45 eV is required between both materials ionization energies to overcome energy level bending at the donor–acceptor interface, in turn maximizing the charge separation yield and the cell's internal quantum efficiency. The present work studies energy losses associated with ΔIE and, based on 24 blends, finds that losses are minimal up to a ΔIE of 0.6 eV. Electroluminescence spectroscopy shows that low energy losses are achieved when the charge transfer state energy (ECT) is similar to the acceptor's optical bandgap (EgA). Further ΔIE increase lowers ECT with respect to EgA, thus decreasing VOC. Within that 0.45–0.6 eV ΔIE sweet range, the fill factor FF, hence the power conversion efficiency, increases only marginally as the FF is often already close to maximal for ΔIE = 0.45 eV. The results are extended to 76 binary and ternary blends.
Controlling the Binding Efficiency of Surface Confined Antibodies through the Design of Mixed Self‐Assembled Monolayers
Authors: Sarcina Lucia , Delre Pietro , Graziano Giovanni , Stefanachi Angela , Blasi Davide , Picca Rosaria A. , Di Franco Cinzia , Leonetti Francesco , Scamarcio Gaetano , Bollella Paolo , Mangiatordi Giuseppe F. , Macchia Eleonora , Torsi Luisa 
Published: March 2023

AbstractA plethora of different electronic and optoelectronic devices have been developed lately, for biosensing applications (e.g., label‐free, fast, and easier to operate) based on a detecting interface accommodating the biorecognition elements, anchored by thiolate self‐assembled monolayers (SAMs) on a gold surface. Here, a surface plasmon resonance (SPR) characterization of anti‐p24 anchored on different SAMs is performed to investigate the effect of the SAM structure on the antibodies’ packing efficiency and the sensors’ analytical figures of merit. Notably, the mixed SAM deposited from a solution 10:1 of 3‐mercaptopropionic acid and 11‐mercaptoundecanoic acid (11MUA) is compared to that resulting from a solution 10:1 of ad hoc synthesized N‐(2‐hydroxyethyl)‐3‐mercaptopropanamide (NMPA)/11MUA. Despite the improvement in the anti‐p24 surface coverage registered using the 11MUA/NMPA SAM, the latter produces a significant decrease in the antibodies’ binding efficiency against human immunodeficiency virus p24 protein. To provide a molecular rationale behind the SPR data, density functional theory calculations are also undertaken. A comprehensive physical view of the main competing phenomena affecting the biorecognition events at a biofunctionalized gold detecting interface is represented here.
Tumor‐Targeted Poly(ArgGlyAsp) Nanocapsules for Personalized Cancer Therapy – In Vivo Study
Authors: Itzhaki Ella , Chausky‐Barzakh Eva , Atkins Ayelet , Bareket‐Samish Avital , Stemmer Salomon M. , Margel Shlomo , Moskovits Neta 
Published: March 2023

AbstractThe arginine‐glycine‐glutamic acid (RGD) sequence, an αvβ3 integrin recognition site, is overexpressed in malignancies and neovasculature, making it a potential therapeutic target. Herein, efficacy/safety of tumor‐targeted RGD‐based proteinoid nanocapsules (NCs) entrapping a synergistic combination of two drugs—palbociclib (Pal), a CDK4/6 inhibitor, and alpelisib (Alp), a P13K inhibitor, as a cancer treatment, is assessed. P(RGD) proteinoid polymers are produced by thermal step‐growth polymerization of R, G, and D under an inert atmosphere. P(RGD) NCs, hollow and encapsulating 25 w% each of Pal and Alp, are formed by self‐assembly of the proteinoid polymer. The encapsulation yields of Pal and Alp are 72% and 95%, respectively. Long‐term stability, controlled release, cellular uptake,synergistic cytotoxicity, and induced cell death are evident from in vitro experiments. Findings from in vivo breast, colon and gastric patient‐derived xenograft (PDX) mice experiments are consistent with the in vitro studies showing that the response to treatment with drug‐loaded NCs is similar to that elicited by free drugs, with reduced side effects. The study demonstrates the potential clinical utility of P(RGD) NCs for cancer treatment.
The role of geography, ecology, and hybridization in the evolutionary history of Canary Island Descurainia
Authors: Jackson Amy C. , White Oliver W. , Carine Mark , Chapman Mark A. 
Published: March 2023

AbstractPremiseOceanic islands offer the opportunity to understand evolutionary processes underlying rapid diversification. Along with geographic isolation and ecological shifts, a growing body of genomic evidence has suggested that hybridization can play an important role in island evolution. Here we use genotyping‐by‐sequencing (GBS) to understand the roles of hybridization, ecology, and geographic isolation in the radiation of Canary Island Descurainia (Brassicaceae).MethodsWe carried out GBS for multiple individuals of all Canary Island species and two outgroups. Phylogenetic analyses of the GBS data were performed using both supermatrix and gene tree approaches and hybridization events were examined using D‐statistics and Approximate Bayesian Computation. Climatic data were analyzed to examine the relationship between ecology and diversification.ResultsAnalysis of the supermatrix data set resulted in a fully resolved phylogeny. Species networks suggest a hybridization event has occurred for D. gilva, with these results being supported by Approximate Bayesian Computation analysis. Strong phylogenetic signals for temperature and precipitation indicate one major ecological shift within Canary Island Descurainia.ConclusionsInter‐island dispersal played a significant role in the diversification of Descurainia, with evidence of only one major shift in climate preferences. Despite weak reproductive barriers and the occurrence of hybrids, hybridization appears to have played only a limited role in the diversification of the group with a single instance detected. The results highlight the need to use phylogenetic network approaches that can simultaneously accommodate incomplete lineage sorting and gene flow when studying groups prone to hybridization; patterns that might otherwise be obscured in species trees.
[n]Cycloparaphenylene‐Pillar[5]arene Bismacrocycles: Their Circularly Polarized Luminescence and Multiple Guest Recognition Properties
Authors: Xu Youzhi , Steudel Fabian , Leung Ming‐Yi , Xia Biao , von Delius Max , Yam Vivian Wing‐Wah 
Published: March 2023

AbstractBoth pillar[n]arenes (P[n]As) and [n]cycloparaphenylenes ([n]CPPs) play an important role in supramolecular chemistry. Herein, we report the precise synthesis of two multifunctional bismacrocycles [n]CPP‐P[5]A by integrating P[5]A into the [n]CPP backbone. The photoluminescence quantum yield (ΦF) of the bismacrocycles was found to show a dramatic increase relative to the corresponding [n]CPPs. The chiral enantiomers (pR)/(pS)‐[8]CPP‐P[5]A were successfully isolated by chiral HPLC, and showed promising properties of circularly polarized luminescence (glum≈0.02). In addition, [n]CPP‐P[5]A bismacrocycles are capable of binding pyridinium salts and fullerene derivatives with high affinity and specificity within the two distinct cavities. Transient absorption studies showed that photo‐induced electron transfer occurs in [10]CPP‐P[5]A⊃C60 complex. Our results suggest that [n]CPP‐P[5]A are potentially useful in CPL‐active materials, multiple guest recognition and supramolecular polymer preparation.
Size effects in the elastic properties of polycrystalline silicon
Authors: Aßmus Marcus , von Zabiensky Max , Weber Martin , Altenbach Holm 
Published: March 2023

AbstractPolycrystalline silicon has a wide range of applications in the semiconductor industry. Instead of components whose dimensions are of the same order of magnitude in all three spatial directions, thin slices are primarily used there. Deviating mechanical properties have been noticed among such thin configurations. In this work, we systematically investigate the size‐dependent effective elastic properties of polycrystalline silicon. This is realized by gradually reducing the thickness of such components, starting from a structure usually referred to as representative volume element. Based on the framework of continuum mechanics, we specify unit cell problems for aggregates whose microstructures are build artificially based on first‐order properties through tessellations. The effective responses of virtual material tests are determined by the aid of the finite element method. Based on a larger number of computational simulations with different but equivalent microstructures, the effective elastic properties of silicon polycrystals are evaluated statistically. The findings are examined with regard to geometrically‐induced symmetries by several methods. For the unconstrained configurations examined here, results show an increase in the scattering of the results where the average stiffness decreases with decreasing structural thickness. These outcomes are also compared to analytical estimates for silicon bulk configurations. This comparison indicates that the average stiffness varies in between a reasonable mean and the isotropic first‐order lower bound of the silicon bulk. Compared to experimental findings, admissible bounds of the stiffnesses are clearly outlined.
Pectinases as promising green biocatalysts having broad‐spectrum applications: Recent trends, scope, and relevance
Authors: Kaur Damanjeet , Sharma Varruchi , Joshi Amit , Batra Navneet , Ramniwas Seema , Sharma Anil K 
Published: March 2023

AbstractPectinases are a collection of multiple enzymes that have a common substrate, that is, pectin. They can act on different parts of pectin due to the structural heterogeneity of pectin. Therefore, they have been placed in different groups, such as protopectinases, polygalacturonases, polymethylesterases, pectin lyases, and pectate lyases. They are naturally present both in multicellular organisms such as higher plants and in unicellular organisms such as microbes. In past decade, it has been witnessed that chemical and mechanical methods employed in industrial processes have led to environmental hazards and serious health disorders, thus increasing the search for eco‐friendly approaches with minimal health risks. Hence, microbial enzymes have been extensively used as safer alternative for these environmentally unsafe methods. Among these microbial enzymes, pectinases hold great significance and is one of the principal enzymes that have been used commercially. It is predominantly used as a green biocatalyst for fruit, fiber, oil, textile, beverage, pulp, and paper industry. Thus, this review focuses on the structure of pectin, microbial sources of pectin, and principle industrial applications of pectinases.
Micelle encapsulation zinc‐doped copper oxide nanocomposites reverse Olaparib resistance in ovarian cancer by disrupting homologous recombination repair
Authors: Yi Jingyan , Luo Xin , Xing Jinshan , Gedanken Aharon , Lin Xiukun , Zhang Chunxiang , Qiao Gan 
Published: March 2023

AbstractMicelle Encapsulation Zinc‐doped copper oxide nanocomposites (MEnZn‐CuO NPs) is a novel doped metal nanomaterial prepared by our group based on Zinc doped copper oxide nanocomposites (Zn‐CuO NPs) using non‐micellar beam. Compared with Zn‐CuO NPs, MEnZn‐CuO NPs have uniform nanoproperties and high stability. In this study, we explored the anticancer effects of MEnZn‐CuO NPs on human ovarian cancer cells. In addition to affecting cell proliferation, migration, apoptosis and autophagy, MEnZn‐CuO NPs have a greater potential for clinical application by inducing HR repair defects in ovarian cancer cells in combination with poly (ADP‐ribose) polymerase inhibitors for lethal effects.
Directed Evolution to Reverse Epoxide Hydrolase Enantioselectivity for meso‐3,4‐Epoxytetrahydrofuran
Authors: Hiraga Kaori , Itoh Tetsuji , Verma Deeptak , Wang Wei , Huang Chen , Ardolino Michael , Zhong Yong‐Li , Murphy Grant 
Published: March 2023

AbstractChiral vicinal diols are important intermediates in the synthesis of pharmaceuticals. Epoxide hydrolases catalyze hydrolytic ring opening of epoxides to produce the corresponding vicinal diols, providing an attractive way to access these building blocks under mild conditions in a stereoselective and atom‐efficient manner. In this study, an epoxide hydrolase is identified and engineered to form (3S,4S)‐tetrahydrofurandiol in high optical purity via the desymmetrization of meso‐3,4‐epoxytetrahydrofuran. In nine rounds of directed evolution, the enzyme's native (3R,4R)‐stereopreference was reversed and its activity was dramatically improved to achieve quantitative yield under remarkably high 500 g/L substrate concentration and low enzyme loading. Computational modelling provides insights on the changes in enzyme‐substrate interaction that result in divergent enantioselectivities afforded by evolved variants.
Recent Advances in Catalytic Chemical Recycling of Polyolefins
Authors: Faust Kirill , Denifl Peter , Hapke Marko 
Published: March 2023

AbstractPolyolefins and especially polyethylenes (LLDPE, LDPE and HDPE) and polypropylene (PP) contribute a great deal to the growing amounts of plastic waste with a combined production share of almost 50 % by mass. While being almost universally applicable, they are mainly used for short‐lived packaging materials that constitute over 60 % of annual post‐consumer plastic waste. Thus, disproportionately high amounts of polyolefins end up as post‐consumer waste (PCW) and waste management strategies for these particularly inert plastics are needed. This necessity has promoted a great research effort dealing with valorization of these discarded but, nevertheless, valuable materials. This review aims to highlight the scientific advances made in chemical polyolefin recycling in recent years, focusing, though not exclusively, on catalytic processes to recycle polyolefin waste by various means at more moderate temperatures compared to pyrolysis such as deconstructing the polymer with the objective of upcycling in mind or by catalytic transformation to give access to functional chemicals.
2‐Carboranylquinazoline: The Path to an ABCG2 Inhibitor
Authors: Stockmann Philipp , Kuhnert Lydia , Zörner Lisa , Honscha Walther , Hey‐Hawkins Evamarie 
Published: March 2023

AbstractThe role of ATP‐binding cassette (ABC) transporter‐mediated multidrug resistance (MDR) in anti‐cancer therapy is often challenging, frequently leading to inefficiency of treatments. Cancer cells exploit efflux transporters, like the breast cancer resistance protein (BCRP, ABCG2), to secrete chemotherapeutic substances. In this study, an N‐phenyl‐2‐carboranylquinazolin‐4‐amine (8) was designed as inorganic‐organic hybrid BCRP inhibitor. In particular, the ABCG2‐transporter inhibitor‐prominent scaffold N‐phenylquinazolin‐4‐amine was combined with a boron−carbon cluster (carborane) moiety. Introducing a carborane at 2‐position of the quinazoline scaffold resulted in an increased inhibitory activity towards human ABCG2 (hABCG2) compared to its recently published regioisomer N‐carboranyl‐2‐phenyl‐quinazolin‐4‐amine. The carboranylquinazoline 8 further showed the ability to reverse hABCG2‐mediated drug resistance in MDCKII‐hABCG2 cells by lowering the IC50 value of the BCRP‐substrate mitoxantrone, similar to the standard reference and strong inhibitor Ko143, without exhibiting intrinsic toxicity in the lower micromolar ranges. These results make compound 8 a promising scaffold for the design of further BCRP inhibitors.