bluuebunny/crossref_metadata_2025_split huggingface dataset:
Solid Electrolyte Interphase Engineering for Aqueous Aluminum Metal Batteries: A Critical Evaluation
Authors: Dong Tony , Ng Kok Long , Wang Yijia , Voznyy Oleksandr , Azimi Gisele 
Published: April 2021

AbstractRechargeable aqueous aluminum metal batteries (AAMBs) have long been considered unachievable because of the spontaneously formed ionically passivating oxide film and hydrogen evolution reaction on Al. In response, two solid electrolyte interphase (SEI) construction methods, namely, 5 m (mol kg−1) Al(OTF)3‐based water‐in‐salt electrolyte (Al‐WiSE) and chloroaluminate ionic liquid (IL) pretreatment have been recently reported and seemingly reversible AAMBs were achieved. However, the SEI forming ability of a relatively low concentration Al‐WiSE and the fundamental nature of the IL‐derived SEI remain unclear. Here, with thorough computational, electrochemical, and spectroscopic characterizations, it is revealed that contrary to previous reports, neither of the methods build a stable and effective SEI, and hydrogen evolution reaction remains as the cathodic reaction, without Al deposition. This is the underlying reason for the poor voltage and cyclabilities of current AAMBs. Using insights gained in this work, suggestions for future research is offered on reliable electrolytes and interphases to enable truly reversible AAMBs.
Secondary CoQ10 deficiency, bioenergetics unbalance in disease and aging
Authors: Navas Plácido , Cascajo María V. , Alcázar‐Fabra María , Hernández‐Camacho Juan D. , Sánchez‐Cuesta Ana , Rodríguez Ana Belén Cortés , Ballesteros‐Simarro Manuel , Arroyo‐Luque Antonio , Rodríguez‐Aguilera Juan Carlos , Fernández‐Ayala Daniel J. M. , Brea‐Calvo Gloria , López‐Lluch Guillermo , Santos‐Ocaña Carlos 
Published: April 2021

AbstractCoenzyme Q10 (CoQ10) deficiency is a rare disease characterized by a decreased accumulation of CoQ10 in cell membranes. Considering that CoQ10 synthesis and most of its functions are carried out in mitochondria, CoQ10 deficiency cases are usually considered a mitochondrial disease. A relevant feature of CoQ10 deficiency is that it is the only mitochondrial disease with a successful therapy available, the CoQ10 supplementation. Defects in components of the synthesis machinery caused by mutations in COQ genes generate the primary deficiency of CoQ10. Mutations in genes that are not directly related to the synthesis machinery cause secondary deficiency. Cases of CoQ10 deficiency without genetic origin are also considered a secondary deficiency. Both types of deficiency can lead to similar clinical manifestations, but the knowledge about primary deficiency is deeper than secondary. However, secondary deficiency cases may be underestimated since many of their clinical manifestations are shared with other pathologies. This review shows the current state of secondary CoQ10 deficiency, which could be even more relevant than primary deficiency for clinical activity. The analysis covers the fundamental features of CoQ10 deficiency, which are necessary to understand the biological and clinical differences between primary and secondary CoQ10 deficiencies. Further, a more in‐depth analysis of CoQ10 secondary deficiency was undertaken to consider its origins, introduce a new way of classification, and include aging as a form of secondary deficiency.
Physiochemical properties of enveloped viruses and arginine dictate inactivation
Authors: Meingast Christa L. , Joshi Pratik U. , Turpeinen Dylan G. , Xu Xuankuo , Holstein Melissa , Feroz Hasin , Ranjan Swarnim , Ghose Sanchayita , Li Zheng Jian , Heldt Caryn L. 
Published: April 2021

AbstractBackgroundTherapeutic protein manufacturing would benefit by having an arsenal of ways to inactivate viruses. There have been many publications on the virus inactivation ability of arginine at pH 4.0, but the mechanism of this inactivation is unknown. This study explored how virus structure and solution conditions enhance virus inactivation by arginine and leads to a better understanding of the mechanism of virus inactivation by arginine.ResultsLarge diameter viruses from the Herpesviridae family (SuHV‐1, HSV‐1) with loosely packed lipids were highly inactivated by arginine, whereas small diameter, enveloped viruses (equine arteritis virus (EAV) and bovine viral diarrhea virus (BVDV)) with tightly packed lipids were negligibly inactivated by arginine. To increase the inactivation of viruses resistant to arginine, arginine‐derivatives and arginine peptides were tested. Derivates and peptides demonstrated that a greater capacity for clustering and added hydrophobicity enhanced virus inactivation. Dynamic light scattering (DLS) and transmission electron microscopy (TEM) detected increases in virus size after arginine exposure, supporting the mechanism of lipid expansion.ConclusionsArginine most likely interacts with the lipid membrane to cause inactivation. This is shown by larger viruses being more sensitive to inactivation and expansion of the viral size. The enhancement of arginine inactivation when increased hydrophobic molecules are present or arginine is clustered demonstrates a potential mechanism of how arginine interacts with the lipid membrane.
Rhodium Single‐Atom Catalysts on Titania for Reverse Water Gas Shift Reaction Explored by First Principles Mechanistic Analysis and Compared to Nanoclusters
Authors: Doherty Francis , Goldsmith Bryan R. 
Published: April 2021

AbstractThe thermocatalytic reduction of CO2 by H2 often proceeds via two competing reaction mechanisms – the reverse water gas shift reaction (rWGSR, CO2+H2⇌CO+H2O) and methanation (CO2+4H2⇌CH4+2H2O). Atomically dispersed Rh1 catalysts on TiO2 show high selectivity toward the rWGSR compared with larger Rh nanoclusters, but the origin of this size‐dependent selectivity has not been fully explained. Here we report density functional theory (DFT) calculations and microkinetic simulations that clarify the Rh1 active sites and rWGSR pathway on anatase TiO2(101), as well as the high rWGSR selectivity of Rh1 compared with supported Rhx (x=2–8 atoms) nanoclusters. DFT‐computed formation energies, vibrational frequency analysis, and microkinetic modeling suggest three plausible active sites: Rh1 on titania (Rh1/TiO2(101)), Rh1 with a nearby hydroxyl group (Rh1OH/TiO2(101)), and Rh1 near an oxygen vacancy at a three‐fold coordinated site (Rh1 near O3cvac). Predicted turnover frequencies and apparent activation barriers for Rh1 indicate a faster reaction involving CO2 dissociation assisted by a support oxygen vacancy via Rh1 near O3cvac, as well as slower reactions involving Rh1OH/TiO2(101) or Rh1/TiO2(101) through a COOH intermediate. These Rh1 sites are selective toward CO rather than CH4 because of the weak adsorption of CO, large barrier for C−O bond dissociation, and the lack of nearby metal sites for H2 dissociation, in contrast to Rhx nanoclusters, including Rh2 dimers.
Reductive Formylation of Nitroarenes using HCOOH over Bimetallic C−N Framework Derived from the Integration of MOF and COF
Authors: Kumar Kar Ashish , Srivastava Rajendra 
Published: April 2021

AbstractCoZn embedded C−N framework is prepared by the carbonization of CoZn containing MOF integrated with COF porous architecture in Ar atmosphere. The graphitic nature of porous carbon is confirmed from Raman analysis. The porosity and nanostructure information are retrieved from N2‐sorption and transmission electron microscopic analysis, respectively. The incorporation of different metals and their oxidation states and types of nitrogen present in the C−N framework are confirmed from X‐ray photoelectron spectroscopy. The basicity of the materials is determined from a CO2‐temperature programmed desorption. ZnCo embedded C−N framework exhibits excellent activity in the selective reductive formylation using HCOOH. For comparison, more than 15 materials are prepared, and their activities are compared. Several control experiments are performed to establish a structure‐activity relation. The recycling experiment, hot‐filtration test, and poisoning experiment demonstrate the metal embedded porous C−N framework‘s recyclability and stability. A reaction mechanism for the reductive N‐formylation of nitroaromatics is presented based on structure‐activity relationship, control reactions, and physicochemical characterizations. The development of interesting MOF‐COF‐derived metal nanoclusters embedded C−N framework for selective reductive formylation of nitroaromatics using formic acid will be highly attractive to catalysis researchers and industrialists.
Modular Toolkit of Multifunctional Block Copoly(2‐oxazoline)s for the Synthesis of Nanoparticles
Authors: Keckeis Philipp , Zeller Enriko , Jung Carina , Besirske Patricia , Kirner Felizitas , Ruiz‐Agudo Cristina , Schlaad Helmut , Cölfen Helmut 
Published: April 2021

AbstractPost‐polymerization modification provides an elegant way to introduce chemical functionalities onto macromolecules to produce tailor‐made materials with superior properties. This concept was adapted to well‐defined block copolymers of the poly(2‐oxazoline) family and demonstrated the large potential of these macromolecules as universal toolkit for numerous applications. Triblock copolymers with separated water‐soluble, alkyne‐ and alkene‐containing segments were synthesized and orthogonally modified with various low‐molecular weight functional molecules by copper(I)‐catalyzed azide‐alkyne cycloaddition (CuAAC) and thiol‐ene (TE) click reactions, respectively. Representative toolkit polymers were used for the synthesis of gold, iron oxide and silica nanoparticles.
An Octa‐Urea [Pd2L4]4+ Cage that Selectively Binds to n‐octyl‐α‐D‐Mannoside
Authors: Schaapkens Xander , Holdener Joël H. , Tolboom Jens , Bobylev Eduard O. , Reek Joost N. H. , Mooibroek Tiddo J. 
Published: April 2021

AbstractDesigning compounds for the selective molecular recognition of carbohydrates is a challenging task for supramolecular chemists. Macrocyclic compounds that incorporate isophtalamide or bisurea spacers linking two aromatic moieties have proven effective for the selective recognition of all‐equatorial carbohydrates. Here, we explore the molecular recognition properties of an octa‐urea [Pd2L4]4+ cage complex (4). It was found that small anions like NO3− and BF4− bind inside 4 and inhibit binding of n‐octyl glycosides. When the large non‐coordinating anion ‘BArF’ was used, 4 showed excellent selectivity towards n‐octyl‐α‐D‐Mannoside with binding in the order of Ka≈16 M−1 versus non‐measurable affinities for other glycosides including n‐octyl‐β‐D‐Glucoside (in CH3CN/H2O 91 : 9).
A systematic literature review on mobility in terrestrial and underwater wireless sensor networks
Authors: Ghanem Mahran , Mansoor Ali Mohammed , Ahmad Rodina 
Published: April 2021

SummaryWireless sensor network (WSN) is one of the most significant technologies that gets much attention from researchers due to its promising applications in various environments. Mobility in wireless sensor networks contributes significantly to improving the performance of terrestrial wireless sensor networks (TWSNs) and underwater wireless sensor networks (UWSNs). This research's primary goal is to highlight the roles of mobility and mobile element tasks in enhancing terrestrial and underwater wireless sensor networks. Our systematic literature review (SLR) analyzed studies published between the periods of 2003 and January 2020. Out of 1762 studies retrieved by searching six online digital libraries and other resources, only 107 of them were selected for primary studies based on selection criteria and relevant to three identified research questions. This was followed by data extraction from the primary studies for answering the three SLR questions. The study reveals that mobility plays an essential role in improving network performance in TWSNs and UWSNs, especially in the aspects of coverage, energy efficiency, throughput, and connectivity. The study also identifies the tasks of the mobile elements in TWSNs and UWSNs, including data collection, localization, and charging. Moreover, it demonstrates the parameters of the mobile elements that should be considered when building networks. Finally, this study concludes by highlighting some open research issues that can be considered for future research.
Trusted cognitive sensor based dual routing network on Internet of things
Authors: Arulanantham Dhandapani , Palanisamy Chenniappan 
Published: April 2021

SummaryTo protect wireless sensor based Internet of things (IoT) networks from internal non‐cooperative nodes, developing a reliable method between sensors has proven to be an excellent way in the present investigation. Losses and vulnerabilities in the network can be resolved by examining the activities of the network and then selecting the sensor to which the information is sent, rather than just the communication of the sensor. Most of the existing reliable models consider only the contact nature is this when calculating one‐hop reliability. However, this is not enough with different types of attacks. So, the proposed design focuses on developing a communication with a reliable model between sources to destination based on the TCSRN—trusted cognitive sensor based dual routing network on the IoT. Based on this the highest packet delivery ratio and minimum delay are achieved at the end of the communication because of the reliable path selection with dual‐path selection method according to one‐hop report, endorsement report based reliability and global cumulative reliability based on relations between sensors.
Comparative assessment of different diesel engines fueled with 1‐pentanol and diesel blends
Authors: Atmanli Alpaslan , Yilmaz Nadir 
Published: April 2021

Abstract1‐pentanol has been gathering attention because of its advantages over the lower alcohols, and the researchers consider that it is a promising alternative fuel for diesel engines. In this study, two types of diesel engines were fueled with various blends of 1‐pentanol (5%–35%) and diesel blends. Engine tests were performed using Onan DJC and Subaru RGD (3300H) unmodified diesel engines under different engine loads and speeds and results were reported and compared for both diesel engines. Test results of Onan and Subaru engines showed that average brake thermal efficiency (BTE) decreased, while brake specific fuel consumption (BSFC), and exhaust gas temperature (EGT) increased with increasing presence of 1‐pentanol in the binary blends. Addition of 1‐pentanol to diesel fuel significantly decreased oxides of nitrogen (NOx) emissions, while hydrocarbon (HC) and carbon monoxide (CO) emissions increased drastically with the use of 1‐pentanol as compared to diesel fuel. It is noted that the engine specifications, operating conditions and 1‐pentanol blend ratio significantly affect HC emissions. As a result, the lowest ratio of 1‐pentanol is the most promising candidate for decreasing NOx emissions, but at the expense of increasing BSFC for any type of diesel engine without any engine modification.
Optimization of cerium oxide added algae biodiesel blends by Taguchi and ANOVA methods in terms of emission and combustion characteristics
Authors: Ravi Sam Sukumar , Rao Maddula Muralidhara , Krishna Alluru Gopala 
Published: April 2021

AbstractPresently, the reduction of emission rates from the diesel engine is a significant aim of several researchers. Biodiesel has considered an alternative for diesel, but based on mechanical efficiency, its performance is very poor. Therefore, the nanoparticles are blended with the diesel and biodiesel for reducing emission and enhancing the engine performance characteristics. The major intention of the present work is to provide the finest fuel blend for the 4‐stroke diesel engine according to both emission and combustion characteristics. Here, the Hazantus (algae bio diesel) prepared via soxhlet extraction, and then it is blended with the diesel under three various ratios such as 1:9, 2:8, 3:7. Based on these three ratios, the performance of the variable compression ratio engine has been investigated and is optimized by using the Taguchi method, which exhibited that the 2:8 biodiesel blend is optimum based on mechanical performance and combustion. Further, to enhance biodiesel performance concerning emission characteristics, the cerium oxide nanoparticles mixed with the optimum fuel blend at the proportion rate of 25 and 50 mg. The emission rates obtained from this research work are 1000PPM of NOx, 0.052% of CO, and 38% of HC.
Using Jand and Mesquite for environmental progress and management: Improvement soil proprieties and carbon sequestration ability in different organs
Authors: Ansari Sara , Sadeghi Hossein 
Published: April 2021

AbstractThe present study was conducted to estimate the amount of carbon sequestration in soil containing Jand (Prosopis cineraria) and Mesquite (Prosopis juliflora) and control area at different soil depths (0–15 and 15–30 cm), as well as its organs (root, shoot and leaves) and some soil characteristics in the Anbarabad region, southeastern part of Kerman province, Iran. This study was carried out by two separate factorial experiments. The first factor was the type of plant species in both experiments. The second factor was the plant organs in experiment I and different soil depths in experiment II. The results showed that the carbon stored at two depths of 0–15 and 15–30 cm in P. cineraria (21.39 and 24.36 t/ha) and also in P. juliflora was 23.70 and 24.857 t/ha, respectively. Effects of Soil type under the canopy and soil depths on carbon sequestration were significant. Both plants had the highest amount of organic carbon in the roots and shoots. However, the lowest amount of organic carbon obtained in leaves. Effect of soil depth on carbon sequestration was significant and also the interaction of species and organs on the amount of stored organic carbon were significant. Soil texture, especially clay content, has a great effect on soil carbon sequestration. The highest carbon sequestration was obtained in Mesquite (24.03a ± 1.113 t/ha) and the lowest carbon sequestration was obtained in Jand (20.87b ± 0.203 t/ha).
Quantification of biogeomorphic interactions between small‐scale sediment transport and primary vegetation succession on proglacial slopes of the Gepatschferner, Austria
Authors: Haselberger Stefan , Ohler Lisa‐Maria , Junker Robert R. , Otto Jan‐Christoph , Glade Thomas , Kraushaar Sabine 
Published: April 2021

AbstractProglacial slopes provide suitable conditions for observing the co‐development of abiotic and biotic systems. The frequency and magnitude of geomorphic processes and plant composition govern this interplay, which is described in the model of biogeomorphic succession. In high mountain environments, this model has only been tested in a limited number of studies. The study aimed to quantify small‐scale sediment transport via erosion plots along a plant cover gradient and to investigate the influence of sediment transport on plant communities. We aimed to generate quantitative data to test existing biogeomorphic models. Small‐scale biogeomorphic interactions were investigated on 30 test plots of 2 × 3 m size on proglacial slopes of the Gepatschferner (Kaunertal) in the Austrian Alps during the snow‐free summer months over three consecutive years. The experimental plots were established on slopes along a plant cover gradient. A detailed vegetation survey was carried out to capture biotic conditions, and specific sediment yield was measured at each plot. Species abundance and composition at each site reflected successional stages. Additional environmental parameters, such as terrain age, geomorphometry, grain size distribution, soil nutrients, and precipitation, were also included in the analyses. We observed two pronounced declines in geomorphic activity on plots with both above 30% and above 75% plant cover. Nonmetric multidimensional scaling showed distinct clusters of vegetation composition that mainly followed a successional gradient. Sites that were affected by high‐magnitude geomorphic events showed different environmental conditions and species communities. Quantified process rates and observed species composition support the concept of biogeomorphic succession. The findings help to narrow down a biogeomorphic feedback window.
The density polarization reveals directions of electron displacements due to the substituent effect: Analysis performed on a metal‐organic Mo‐Oxo catalyst
Authors: Martínez‐Araya Jorge I. , Morell Christophe 
Published: April 2021

AbstractSome Mo‐oxo complexes bearing pyridine rings have the capability for dihydrogen production from water. However, energy barrier and overall energy vary depending on the effect exerted by several substituent groups located at different positions around one or more pyridine rings which are ligands of these compounds. Based on the Karunadasa and coworkers investigation where the para‐position was experimentally tested in compounds derivatised from the 2,6‐bis[1,1‐bis(2‐pyridil)ethyl]‐pyridine oxo‐molybdenum complex synthesized (Karunadasa et al., Nature, 2010, 464, 1329), we tested the combined effect of electron‐withdrawing and electron‐donating groups simulated as perturbations represented by point‐charges. Then, we used the density polarization concept, δρ(r), a local reactivity descriptor corresponding to the partially integrated linear response function, χ(r, r′) (a non‐local reactivity descriptor), which is able to reveal different displacements of π‐electrons on molecular structures. We perturbed the para‐positions in the pentadentate ligand 2,6‐bis[1,1‐bis(2‐pyridil)ethyl]‐pyridine in the Mo‐based complex by means of point‐charges. They were located in three different configurations of the organic ligand (trans, geminal, and cis) which could help to explain energy barriers and overall energy of reactions catalyzed by this type of Mo‐complexes. Our results indicate that the trans configuration of point‐charges induces the most amount of fraction of electron shifted on the complex. A Mo‐based complex bearing the same trans configuration for electron‐withdrawing and electron‐donating substituent groups (cyano and amino, respectively), leads to a kinetically more favorable H2 release than the cis or geminal configuration of the substituent groups aforementioned.
Impact of local and regional climate variability on fungi production from Pinus sylvestris forests in Soria, Spain
Authors: García‐Bustamante Elena , Fidel González‐Rouco J. Fidel , García‐Lozano Elena , Martinez‐Peña Fernando , Navarro Jorge 
Published: April 2021

AbstractThe cultivation of edible fungal species represents a profitable agricultural sector and an interesting climatic‐impact oriented topic. This article focuses on Boletus edulis that develops in Pinus sylvestris forests in Soria (Castile and León in the Iberian Peninsula). This work aims at evaluating the extent to which the climate variability modulates the fungi production, both at local and regional/synoptic scales. With this purpose, the relationship between B. edulis production and various climatic variables such as precipitation, temperature, soil moisture and soil temperature has been explored based on observations during 1995–2014 over the study area as well as reanalysis data. The study evidences the relative importance of humidity in the B. edulis production both at the surface and the subsurface. In general, it can be said that wet conditions early in the production season together with cooler summers and mild autumns enhance the B. edulis growth. Evidences of the particular relevance of soil conditions at the beginning of the production season on the total annual production have been provided. In addition, the age of the trees that host the fungi species seems to play as well a pivotal role in the amounts of production obtained. Such a detailed analysis, including local relevant climatic information along with the investigation of the large‐scale features that impact the production of edible fungi species has not yet been developed over this region.