bluuebunny/crossref_metadata_2025_split huggingface dataset:
High Loading Efficiency and Controlled Release of Bioactive Immunotherapeutic Proteins Using Vaterite Nanoparticles
Authors: Choukrani Ghizlane , Álvarez Freile Jimena , Avtenyuk Natasha Ustyanovska , Wan Wei , Zimmermann Kerstin , Bremer Edwin , Dähne Lars 
Published: June 2021

AbstractNanoparticles may limit off‐tumor/on‐target ubiquitous activation of signaling by protein‐based drugs. However, many challenges still exist in the design of a nanoparticle for protein delivery. In this study, conditions to establish vaterite nanoparticles as a pH‐sensitive drug delivery system (DDS) for encapsulated protein drugs are comprehensively evaluated. Low coprecipitation pH of vaterite and protein prevents protein denaturation and yields high loading efficiency. Unprotected vaterite recrystallizes in aqueous solutions within 3 h to calcite and releases the loaded protein completely, but surface‐modified particles with carboxyl groups containing polymers prove stable for more than 5 months. Notably, modification of vaterite with sulfonated polymers increases the loading of cationic proteins by a multiple. A system is developed for vaterite exposure to (pH) conditions under body‐like‐flow rates, with the dissolution of vaterite and simultaneous release of active proteins at tumor microenvironmental pH reaching up to 80% and only 20% at physiological pH within 2 h. Importantly, the immunomodulatory protein tumor necrosis factor preserves its native structure and fully retains functional activity in vitro after release from the particles. In conclusion, the studies described here provide a framework for the development of vaterite‐based DDS as a carrier for bioactive protein‐based therapeutics.
From Kuru to Alzheimer: A personal outlook
Authors: Brunori Maurizio 
Published: June 2021

AbstractSeventy years ago, we learned from Chris Anfinsen that the stereochemical code necessary to fold a protein is embedded into its amino acid sequence. In water, protein morphogenesis is a spontaneous reversible process leading from an ensemble of disordered structures to the ordered functionally competent protein; conforming to Aristotle's definition of substance, the synolon of matter and form. The overall process of folding is generally consistent with a two state transition between the native and the denatured protein: not only the denatured state is an ensemble of several structures, but also the native protein populates distinct functionally relevant conformational (sub)states. This two‐state view should be revised, given that any globular protein can populate a peculiar third state called amyloid, characterized by an overall architecture that at variance with the native state, is by‐and‐large independent of the primary structure. In a nut shell, we should accept that beside the folded and unfolded states, any protein can populate a third state called amyloid which gained center stage being the hallmark of incurable neurodegenerative disorders, such as Alzheimer's and Parkinson's diseases as well as others. These fatal diseases are characterized by clear‐cut clinical differences, yet display some commonalities such as the presence in the brain of amyloid deposits constituted by one misfolded protein specific for each disease. Some aspects of this complex problem are summarized here as an excursus from the prion's fibrils observed in the brain of aborigines who died of Kuru to the amyloid detectable in the cortex of Alzheimer's patients.
A hierarchical deep learning based approach for multi‐functional enzyme classification
Authors: Khan Kinaan Aamir , Memon Safyan Aman , Naveed Hammad 
Published: June 2021

AbstractEnzymes are critical proteins in every organism. They speed up essential chemical reactions, help fight diseases, and have a wide use in the pharmaceutical and manufacturing industries. Wet lab experiments to figure out an enzyme's function are time consuming and expensive. Therefore, the need for computational approaches to address this problem are becoming necessary. Usually, an enzyme is extremely specific in performing its function. However, there exist enzymes that can perform multiple functions. A multi‐functional enzyme has vast potential as it reduces the need to discover/use different enzymes for different functions. We propose an approach to predict a multi‐functional enzyme's function up to the most specific fourth level of the hierarchy of the Enzyme Commission (EC) number. Previous studies can only predict the function of the enzyme till level 1. Using a dataset of 2,583 multi‐functional enzymes, we achieved a hierarchical subset accuracy of 71.4% and a Macro F1 Score of 96.1% at the fourth level. The robustness of the network was further tested on a multi‐functional isoforms dataset. Our method is broadly applicable and may be used to discover better enzymes. The web‐server can be freely accessed at http://hecnet.cbrlab.org/.
Waves and coherent flows in the tropical atmosphere: New opportunities, old challenges
Authors: Stephan Claudia C. , Žagar Nedjeljka , Shepherd Theodore G. 
Published: June 2021

AbstractAtmospheric science relies on numerical models to simulate the complex multiscale nature of atmospheric variability, but our confidence in weather and climate predictions relies on theory and simplified models that describe scale interactions at a mechanistic level and can provide causal accounts of atmospheric behaviour. Global simulations at kilometre‐scale resolution are now feasible and offer new opportunities to the atmospheric science community for testing and expanding our understanding of climate variability and change. Taking full advantage of this new tool requires smart strategies for evaluating and analysing the output, especially as kilometre‐scale climate modelling will be limited to relatively short simulations with a rather small number of realizations. We here review some of the available tools for diagnosing and studying the dynamics of waves, coherent flows, and the interactions between them in terms of their ability to provide causal accounts of the behaviour seen in observations and in comprehensive simulation models. We describe their successes but also some of their limitations. The limitations are seen to be especially pronounced in the Tropics, where clouds, convection and atmospheric circulation are inextricably linked. The lack of a natural spatial truncation scale in the Tropics has given rise to many theoretical challenges, but it is for precisely this reason that the Tropics are where we might expect the largest gain from global kilometre‐scale models.
Implementation of Geometric Quantum Gates on Microwave‐Driven Semiconductor Charge Qubits
Authors: Zhang Chengxian , Chen Tao , Wang Xin , Xue Zheng‐Yuan 
Published: June 2021

AbstractA semiconductor‐based charge qubit, confined in double quantum dots, can be a platform to implement quantum computing. However, it suffers severely from charge noises. Here, a theoretical framework to implement universal geometric quantum gates in this system is provided. It is found that, while the detuning noise can be suppressed by operating near its corresponding sweet spot, the tunneling noise, on the other hand, is amplified and becomes the dominant source of error for single‐qubit gates, a fact previously insufficiently appreciated. It is demonstrated, through numerical simulation, that the geometric gates outperform the dynamical gates across a wide range of tunneling noise levels, making them particularly suitable to be implemented in conjunction with microwave driving. To obtain a nontrivial two‐qubit gate, a hybrid system is introduced with charge qubits coupled by a superconducting resonator. When each charge qubit is in resonance with the resonator, it is possible to construct an entangling geometric gate with fidelity higher than that of the dynamical gate for experimentally relevant noise levels. Therefore, the results suggest that geometric quantum gates are powerful tools to achieve high‐fidelity manipulation for the charge qubit.
Design of SnO2/ZnO@ZIF‐8 Hydrophobic Nanofibers for Improved H2S Gas Sensing
Authors: Wang Yumeng , Wang Xinchang , Qi Beiying , Cheng Jipeng , Wang Xinyue , Shang Yuanyuan , Jia Jianfeng 
Published: June 2021

AbstractSnO2/ZnO@ZIF‐8 core‐shell nanofibers were synthesized by electrospinning and hydrothermal etching ZnO component of SnO2/ZnO nanofibers. It is found that the ZIF‐8 coated SnO2/ZnO nanostructures are obtained, and the ZIF‐8 coating can obviously increase the specific surface area of nanofibers. H2S sensing properties of the sensors based on composite nanofibers were investigated. The results show that SnO2/ZnO@ZIF‐8 core‐shell nanostructures can not only improve the response to H2S, but also effectively reduce the interference of ambient humidity on semiconductor gas sensors. The response of the optimal sample to 5 ppm H2S can reach 202.3, which is about 19 times higher than that of pure SnO2 nanofibers. Compared with the response at the ambient humidity of 55 %RH, the response at the ambient humidity of 90 %RH can still maintain 84.7 %. Good selectivity and stability are also observed in our investigations.
Synthesis ofN‐Acetylcysteine Conjugated Cholic Acid Stabilized Gold and Silver Nanoparticles: Evaluation of Their Catalytic Activity and Toxicity Assessment
Authors: Ezhumalai Nishanthi , Nanthagopal Manivannan , Chandirasekar Shanmugam , Elumalai Manikandan , Narayanasamy Mathivanan , Singaravelu Ganesan , Rajendiran Nagappan 
Published: June 2021

AbstractHere we report an efficient and simple protocol for the preparation ofN‐acetylcysteine conjugated cholic acid (ACyCA) by adopting thiol‐yne click chemistry approach. The synthesized ACyCA amphiphiles showed primary and secondary critical micellar concentration (CMC) at 3.6 and 11.05 mM. The prepared ACyCA was used as a soft template for the preparation of gold (Au) and silver (Ag) nanoparticles (NPs) under sun light exposure. The optical and morphological properties of NPs were studied by UV‐visible, DLS, zeta potential and HR‐TEM techniques. The synthesized NPs having monodispersed spherical shaped and anisotropic nature with an average size of ∼10.5 nm and ∼45.8 nm for Au and Ag NPs, respectively. The catalytic activity of the prepared NPs was evaluated for the reduction of 4‐nitrophenol (4‐NP) to 4‐aminophenol (4‐AP) as a model reaction and the apparent rate constant (kapp) was found to be 3.27×10−4 s−1and 15.6×10−4 s−1for Au and Ag NPs respectively. Also, Ag and Au NPs were screened for antimicrobial activity against five human pathogens. Among these, AgNPs showed maximum zone of inhibition (ZOI) 23 mm forStaphylococcus aureuswhen compared to AuNPs, and the minimum inhibitory concentration of AgNPs was found to be 64 μg/mL forS. aureus. From the haemocompatibility studies, the AgNPs showed more compatibility for the human blood cells as compared to AuNPs. Multiphoton confocal fluorescent microscopic observation of bacterial cells treated with AgNPs showed 45 to 50 % of dead cells.
Directed Synthesis of Regioisomeric Monoaryl‐Substituted Pyridines Containing a Tricyanobutadiene Fragment and Study on Their Optical Properties
Authors: Shishlikova Maria A. , Ievlev Mikhail Yu , Bardasov Ivan N. , Ershov Oleg V. 
Published: June 2021

AbstractA series of regioisomeric monoaryl‐substituted pyridines containing a tricyanobutadiene fragment were prepared using modified known and novel developed synthetic approaches. Advantages and limitations of the used methods were discussed. Dependence of the optical absorption and emission characteristics on the position of aromatic substituent was studied. An unusual intramolecular charge transfer from malononitrile fragment to the pyridine ring was found, which was consistent with observed experimental and theoretical data.
Bioinspired Solid‐State Nanochannel Sensors: From Ionic Current Signals, Current, and Fluorescence Dual Signals to Faraday Current Signals
Authors: Zhang Dan , Zhang Xuanjun 
Published: June 2021

AbstractInspired from bioprotein channels of living organisms, constructing “abiotic” analogues, solid‐state nanochannels, to achieve “smart” sensing towards various targets, is highly seductive. When encountered with certain stimuli, dynamic switch of terminal modified probes in terms of surface charge, conformation, fluorescence property, electric potential as well as wettability can be monitored via transmembrane ionic current, fluorescence intensity, faraday current signals of nanochannels and so on. Herein, the modification methodologies of nanochannels and targets‐detecting application are summarized in ions, small molecules, as well as biomolecules, and systematically reviewed are the nanochannel‐based detection means including 1) by transmembrane current signals; 2) by the coordination of current‐ and fluorescence‐dual signals; 3) by faraday current signals from nanochannel‐based electrode. The coordination of current and fluorescence dual signals offers great benefits for synchronous temporal and spatial monitoring. Faraday signals enable the nanoelectrode to monitor both redox and non‐redox components. Notably, by incorporation with confined effect of tip region of a needle‐like nanopipette, glorious in‐vivo monitoring is conferred on the nanopipette detector at high temporal‐spatial resolution. In addition, some outlooks for future application in reliable practical samples analysis and leading research endeavors in the related fantastic fields are provided.
Confinement of Zinc Salt in Ultrathin Heterogeneous Film to Stabilize Zinc Metal Anode
Authors: Cui Junya , Li Zhenhua , Xu Annan , Li Jianbo , Shao Mingfei 
Published: June 2021

AbstractAqueous zinc metal batteries (AZMBs) have drawn great attention due to the high theoretical capacity, low redox potential, and abundance reserves. However, the practical application of rechargeable AZMBs are hindered by the poor reversibility of Zn metal anode, owing to easy dendrite growth and serious side reactions. Herein, the preparation of heterogeneous interfacial film with highly dispersed and confined zinc salt in a 2D channel by coassembling polyamide 6, zinc trifluoromethanesulfonate, and layered double hydroxides, which significantly suppresses the dendrite formation, H2 evolution reaction as well as O2 corrosion is reported. The as‐developed Zn anodes exhibit a long cycling life up to 1450 h with low reversible deposition potential. Moreover, the assembled Zn||Mn battery delivers a high initial capacity of 321 mAh g−1 and a low capacity decay of ≈0.05% per cycle after 590 cycles, which is promising for high‐performance AZMBs. A fluorescent film to realize the in situ observation of the Zn anode during cycling, which provides a new chance for visual observation of the working state of the Zn interface, is also assembled.
Good Solid‐State Electrolytes Have Low, Glass‐Like Thermal Conductivity
Authors: Cheng Zhe , Zahiri Beniamin , Ji Xiaoyang , Chen Chen , Chalise Darshan , Braun Paul V. , Cahill David G. 
Published: June 2021

AbstractThermal management in Li‐ion batteries is critical for their safety, reliability, and performance. Understanding the thermal conductivity of the battery materials is crucial for controlling the temperature and temperature distribution in batteries. This work provides systemic quantitative measurements of the thermal conductivity of three important classes of solid electrolytes (SEs) over the temperature range 150 < T < 350 K. Studies include the oxides Li1.5Al0.5Ge1.5(PO4)3 and Li6.4La3Zr1.4Ta0.6O12, sulfides Li2S–P2S5, Li6PS5Cl, and Na3PS4, and halides Li3InCl6 and Li3YCl6. Thermal conductivities of sulfide and halide SEs are in the range 0.45–0.70 W m−1 K−1; thermal conductivities of Li6.4La3Zr1.4Ta0.6O12 and Li1.5Al0.5Ge1.5(PO4)3 are 1.4 and 2.2 W m−1 K−1, respectively. For most of the SEs studied in this work, the thermal conductivity increases with increasing temperature, that is, the thermal conductivity has a glass‐like temperature dependence. The measured room‐temperature thermal conductivities agree well with the calculated minimum thermal conductivities indicating that the phonon mean‐free‐paths in these SEs are close to an atomic spacing. The low, glass‐like thermal conductivity of the SEs investigated is attributed to the combination of their complex crystal structures and the atomic‐scale disorder induced by the materials processing methods that are typically needed to produce high ionic conductivities.
Managing Defects Density and Interfacial Strain via Underlayer Engineering for Inverted CsPbI2Br Perovskite Solar Cells with All‐Layer Dopant‐Free
Authors: Han Dongwei , Yi Siwei , Yuan Quan , Tang Xiaoxuan , Shu Qianwen , Li Qiaoyan , Wang Feng , Zhou Dong‐Ying , Feng Lai 
Published: June 2021

AbstractInorganic perovskite CsPbI2Br has advantages of excellent thermal stability and reasonable bandgap, which make it suitable for top layer of tandem solar cells. Nevertheless, solution‐processed all‐inorganic perovskites generally suffer from high‐density defects as well as significant tensile strain near underlayer/perovskite interface, both leading to compromised device efficiency and stability. In this work, the defect density as well as interfacial tensile strain in inverted CsPbI2Br perovskite solar cells (PeSCs) is remarkably reduced by using a bilayer underlayer composed of dopant‐free 2,2′,7,7′‐tetrakis(N,N‐dip‐methoxyphenylamine)‐9,9′‐spirobifluorene (Spiro‐OMeTAD) and copper phthalocyanine 3,4′,4″,4′″‐tetrasulfonated acid tetrasodium salt (TS‐CuPc) nanoparticles. As compared to control devices with pristine Spiro‐OMeTAD, devices based on Spiro‐OMeTAD/TS‐CuPc exhibit remarkably improved photovoltaic performance and enhanced thermal/humidity stability due to the better perovskite crystallization, improved interfacial passivation, and hole‐collection as well as efficient interfacial strain release. As a result, a champion efficiency of 14.85% can be achieved, which is approaching to the best reported for dopant‐free and inverted all‐inorganic PeSCs. The work thus provides an efficient strategy to simultaneously regulate the defects density and strain issue related to inorganic perovskites.
Innovative Sicherheitssonderverglasungen aus Dünnglas und Polycarbonat
Authors: Weimar Thorsten , Andrés López Sebastián , Vuylsteke Laura 
Published: June 2021

AbstractDer Baustoff Glas ermöglicht in der heutigen Architektur auch großformatige Verglasungen für die Gebäudehülle, die durch die hohe Transparenz einen ungestörten optischen Austausch zwischen innen und außen ergeben. Allerdings steigen mit den höheren Anforderungen, insbesondere an die Sicherheit und den Wärmeschutz, auch die Gesamtdicke und das Eigengewicht der Verglasung durch die zunehmende Verwendung von Verbundsicherheitsgläsern und Dreischeiben‐Isoliergläsern. Die kontinuierliche Entwicklung im Herstellungsprozess ermöglicht mittlerweile aber auch die baupraktische Anwendung von Dünnglas mit Nenndicken unter 2 mm als Alternative. Dünnglas weist ein niedriges Flächengewicht, allerdings verbunden mit einer geringen Querschnittssteifigkeit, auf. Zur Vermeidung von unzulässigen Verformungen unter einer plattenförmigen Beanspruchung wird Dünnglas beispielsweise mit Polycarbonat zu Verbundtafeln laminiert. Die in zwei Forschungsprojekten am Lehrstuhl für Tragkonstruktion der Universität Siegen entwickelten Dünnglas‐Polycarbonat‐Verbundtafeln finden Anwendung als vertikale Verglasung aus Einfach‐ sowie Mehrscheiben‐Isolierglas. Der Verbund aus zwei äußeren Dünnglastafeln mit mindestens einer inneren Polycarbonattafel erfüllt die Anforderungen an Verbundsicherheitsglas und erreicht die höchste Widerstandsklasse P8B gegen manuellen Angriff mit einem im Unterschied zu konventionellen Glas‐Verbund schlankeren und leichteren Aufbau. Im Rahmen der Weiterentwicklung zu einem Dreischeiben‐Isolierglas werden erstmalig alle Schichten für die Angriffhemmung berücksichtigt. Dadurch reduzieren sich für die Sicherheitssonderverglasung mit einem Widerstand gegen manuellen Angriff die Gesamtdicke sowie das Eigengewicht im Vergleich zu üblichen Lösungen unter Einhaltung eines niedrigen Wärmedurchgangskoeffizienten für die aktuellen Anforderungen an den Wärmeschutz.
Novel Malto‐Oligosaccharide‐Producing Amylase AmyAc from Archangium sp. Strain AC19 and Its Catalytic Properties
Authors: Fan Qiwen , Zhang Lei , Dong Chaonan , Zhong Linli , Fang Xiaodong , Huan Minghui , Ye Xianfeng , Huang Yan , Li Zhoukun , Cui Zhongli 
Published: June 2021

AbstractFunctional maltooligosaccharides (MOSs) derived from starch have potential applications in the food industry and medicine due to their specific functional properties. In this study, a novel maltose (G2) and maltotriose (G3)‐producing amylase AmyAc from Archangium sp. strain AC19 is identified. AmyAc is a protein of 874 amino acids, with an N‐terminal signal peptide as well as hydrolase family 13 (GH13) catalytic and C‐terminal binding modules. However, its sequence is not highly similar to any of the reported starch hydrolases. The Vmax of AmyAc is 124 µmol min−1 mg−1 under optimal conditions of 50 °C and pH 7.0. AmyAc catalyzes the conversion of MOSs and soluble starch into maltose and maltotriose as the end‐product with more than 85% purity. AmyAc initially produces G2, G3, and oligosaccharides with even units, following by the release of G2 and oligosaccharides with odd units during later stages of hydrolysis, indicating a distinct catalytic selectivity. The production of MOSs from starch by AmyAc is of significant interest due to potential applications in starch processing.
Comparison of two gas volume measurement systems by evaluating biochemical methane potential
Authors: Konrad Odorico , Hasan Camila , Marder Munique , Zulian Lucas , Guerini Filho Marildo 
Published: June 2021

AbstractThe objective of this study is to compare and analyze the efficiency of an automated measurement system for biogas flow with a control performed by a programmable logic controller (PLC) called the SAMB compared to commercial equipment widely disseminated for this purpose, the automatic methane potential test system (AMPTS II). The objective is to identify the accuracy in gas flow analysis of the two systems. The experiments were conducted in triplicate at a constant temperature of 37°C in anaerobic reactors. Two synthetic substrates and two natural substrates combined with a microbial inoculum were used. Considering the different ways the two systems capture data, the results show that all samples differed statistically between them (p < 0.01) in each system. However, in relation to paired substrates between systems, the samples did not present statistically significant differences (p > 0.05). Thus, with the advancement and globalization of knowledge, it is necessary to develop systems capable of generating standardized, precise, and accurate data. In this context, the systems evaluated here present different forms of methane measurement but the results have no significant statistical differences.
Technical–economic potential of agrivoltaic for the production of clean energy and industrial cassava in the Colombian intertropical zone
Authors: Guerrero Hernández Alejandro S. , Ramos de Arruda Lúcia V. 
Published: June 2021

AbstractA dispute is being created in the countries between the use of land for photovoltaic generation purposes and agriculture to satisfy food demand. Therefore, the agrivoltaic concept is presented as a dual‐purpose land‐use solution. A technical–economic analysis is carried out to install photovoltaic systems elevated to a considerable height from the ground, and under them, industrial cassava is grown. A mixed‐integer linear optimization model is developed to store energy in a battery bank, reduce the energy absorbed from the electrical grid, and export it for sale in case of surplus. The results show that the producer will obtain a double benefit: the sale of energy and the profit generated by industrial cassava, preserving food security and meeting the growing electricity demand.