bluuebunny/crossref_metadata_2025 huggingface dataset:
Molecular Recognition and Shape Studies of 3- and 4-Substituted Diarylamide Quasiracemates
Authors: Brandt Ali K. , Boyle Derek J. , Butler Jacob P. , Gillingham Abigail R. , Penner Scott E. , Spaniol Jacqueline M. , Stockdill Alaina K. , Vanderwall Morgan M. , Yeraly Almat , Schepens Diana R. , Wheeler Kraig A.
Published: December 2021

Families of quasiracemic materials constructed from 3- and 4-substituted chiral diarylamide molecular frameworks were prepared, where the imposed functional group differences systematically varied from H to CF3–9 unique components for each isomeric framework. Cocrystallization from the melt via hot stage thermomicroscopy using all possible racemic and quasiracemic combinations probed the structural boundaries of quasiracemate formation. The crystal structures and lattice energies (differential scanning calorimetry and lattice energy calculations) for many of these systems showed that quasienantiomeric components organize with near inversion symmetry and lattice energetics closely resembling those found in the racemic counterparts. This study also compared the shape space of pairs of quasienantiomers using an in silico alignment-based method to approximate the differences in molecular shape and provide a diagnostic tool for quasiracemate prediction. Comparing these results to our recent report on related 2-substituted diarylamide quasiracemates shows that functional group position can have a marked effect on quasiracemic behavior and provide critical insight to a more complete shape space, essential for defining molecular recognition processes.
Electronic Heat Capacity and Lattice Softening of Partially Deuterated Compounds of κ-(BEDT-TTF)2Cu[N(CN)2]Br
Authors: Matsumura Yuki , Imajo Shusaku , Yamashita Satoshi , Akutsu Hiroki , Nakazawa Yasuhiro
Published: December 2021

Thermodynamic investigation by calorimetric measurements of the layered organic superconductors, κ-(BEDT-TTF)2Cu[N(CN)2]Br and its partially deuterated compounds of κ-(d[2,2]-BEDT-TTF)2Cu[N(CN)2]Br and κ-(d[3,3]-BEDT-TTF)2Cu[N(CN)2]Br, performed in a wide temperature range is reported. The latter two compounds were located near the metal–insulator boundary in the dimer-Mott phase diagram. From the comparison of the temperature dependences of their heat capacities, we indicated that lattice heat capacities of the partially deuterated compounds were larger than that of the pristine compound below about 40 K. This feature probably related to the lattice softening was discussed also by the sound velocity measurement, in which the dip-like structures of the Δv/v were observed. We also discussed the variation of the electronic heat capacity under magnetic fields. From the heat capacity data at magnetic fields up to 6 T, we evaluated that the normal-state γ value of the partially deuterated compound, κ-(d[3,3]-BEDT-TTF)2Cu[N(CN)2]Br, was about 3.1 mJ K−2 mol−1. Under the magnetic fields higher than 3.0 T, we observed that the magnetic-field insulating state was induced due to the instability of the mid-gap electronic state peculiar for the two-dimensional dimer-Mott system. Even though the volume fraction was much reduced, the heat capacity of κ-(d[3,3]-BEDT-TTF)2Cu[N(CN)2]Br showed a small hump structure probably related to the strong coupling feature of the superconductivity near the boundary.
Laboratory X-ray Microscopy Study of Microcrack Evolution in a Novel Sodium Iron Titanate-Based Cathode Material for Li-Ion Batteries
Authors: Shapovalov Viktor , Kutukova Kristina , Maletti Sebastian , Heubner Christian , Butova Vera , Shukaev Igor , Guda Alexander , Soldatov Alexander , Zschech Ehrenfried
Published: December 2021

The long-term performance of batteries depends strongly on the 3D morphology of electrode materials. Morphological changes, i.e., particle fracture and surface deterioration, are among the most prominent sources of electrode degradation. A profound understanding of the fracture mechanics of electrode materials in micro- and nanoscale dimensions requires the use of advanced in situ and operando techniques. In this paper, we demonstrate the capabilities of laboratory X-ray microscopy and nano X-ray computed tomography (nano-XCT) for the non-destructive study of the electrode material’s 3D morphology and defects, such as microcracks, at sub-micron resolution. We investigate the morphology of Na0.9Fe0.45Ti1.55O4 sodium iron titanate (NFTO) cathode material in Li-ion batteries using laboratory-based in situ and operando X-ray microscopy. The impact of the morphology on the degradation of battery materials, particularly the size- and density-dependence of the fracture behavior of the particles, is revealed based on a semi-quantitative analysis of the formation and propagation of microcracks in particles. Finally, we discuss design concepts of the operando cells for the study of electrochemical processes.
The Third-Order Elastic Constants and Mechanical Properties of 30° Partial Dislocation in Germanium: A Study from the First-Principles Calculations and the Improved Peierls–Nabarro Model
Authors: Zhang Huili , Lu Defang , Sun Yu , Fu Yunchang , Tong Lumei
Published: December 2021

The elastic constants, core width and Peierls stress of 30° partial dislocation in germanium has been investigated based on the first-principles calculations and the improved Peierls–Nabarro model. Our results suggest that the predictions of lattice constant and elastic constants given by LDA are in better agreement with experiment results. While the lattice constant is overestimated at about 2.4% and most elastic constants are underestimated at about 20% by the GGA method. Furthermore, when the applied deformation is larger than 2%, the nonlinear elastic effects should be considered. And with the Lagrangian strains up to 8%, taking into account the third-order terms in the energy expansion is sufficient. Except the original γ—surface generally used before (given by the first-principles calculations directly), the effective γ—surface proposed by Kamimura et al. derived from the original one is also used to study the Peierls stress. The research results show that when the intrinsic−stacking−fault energy (ISFE) is very low relative to the unstable−stacking−fault energy (USFE), the difference between the original γ—surface and the effective γ—surface is inapparent and there is nearly no difference between the results of Peierls stresses calculated from these two kinds of γ—surfaces. As a result, the original γ—surface can be directly used to study the core width and Peierls stress when the ratio of ISFE to the USFE is small. Since the negligence of the discrete effect and the contribution of strain energy to the dislocation energy, the Peierls stress given by the classical Peierls–Nabarro model is about one order of magnitude larger than that given by the improved Peierls–Nabarro model. The result of Peierls stress estimated by the improved Peierls–Nabarro model agrees well with the 2~3 GPa reported in the book of Solid State Physics edited by F. Seitz and D. Turnbull.
Synthesis of Unexpected Dimethyl 2-(4-Chlorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,3-dicarboxylate via Hydrolysis/Cycloaddition/Elimination Cascades: Single Crystal X-ray and Chemical Structure Insights
Authors: Altowyan Mezna , Soliman Saied , Haukka Matti , Al-Shaalan Nora , Alkharboush Aminah , Barakat Assem
Published: December 2021

Hydrolysis/[3 + 2] cycloaddition/elimination cascades employed for the synthesis of unexpected tricyclic compound derived from isoquinoline. Reaction of ethylene derivative 1 with the isoquinoline ester iminium ion 2 in alkaline medium (MeOH/NEt3) under reflux for 1 h resulted in the formation of the fused pyrrolo[2,1-a]isoquinoline derivative 3. Its structure was elucidated by X-ray single crystal and other spectrophotometric tools. Hirshfeld calculations for 3 and its crystal structure analysis revealed the importance of the short O…H (19.1%) contacts and the relatively long H…C (17.1%), Cl…H (10.6%) and C…C (6.1%) interactions in the molecular packing. DFT calculations were used to compute the electronic and spectroscopic properties of the studied system. The studied compound has polar nature (3.5953 Debye). TD-DFT calculations assigned the shortest wavelength band (220 nm) to the HOMO−1→LUMO+2 (57%), HOMO−1→LUMO+4 (14%) mixed excitations. The calculated NMR chemical shifts correlated very well with the experimental data (R2 = 0.93–0.94).
Exploring High-Pressure Transformations in Low-Z (H2, Ne) Hydrates at Low Temperatures
Authors: Brant Carvalho Paulo H. B. , Mace Amber , Nangoi Inna Martha , Leitão Alexandre A. , Tulk Chris A. , Molaison Jamie J. , Andersson Ove , Lyubartsev Alexander P. , Häussermann Ulrich
Published: December 2021

The high pressure structural behavior of H2 and Ne clathrate hydrates with approximate composition H2/Ne·~4H2O and featuring cubic structure II (CS-II) was investigated by neutron powder diffraction using the deuterated analogues at ~95 K. CS-II hydrogen hydrate transforms gradually to isocompositional C1 phase (filled ice II) at around 1.1 GPa but may be metastably retained up to 2.2 GPa. Above 3 GPa a gradual decomposition into C2 phase (H2·H2O, filled ice Ic) and ice VIII’ takes place. Upon heating to 200 K the CS-II to C1 transition completes instantly whereas C1 decomposition appears sluggish also at 200 K. C1 was observed metastably up to 8 GPa. At 95 K C1 and C2 hydrogen hydrate can be retained below 1 GPa and yield ice II and ice Ic, respectively, upon complete release of pressure. In contrast, CS-II neon hydrate undergoes pressure-induced amorphization at 1.9 GPa, thus following the general trend for noble gas clathrate hydrates. Upon heating to 200 K amorphous Ne hydrate crystallizes as a mixture of previously unreported C2 hydrate and ice VIII’.
Cerebral [18F]-FDOPA Uptake in Autism Spectrum Disorder and Its Association with Autistic Traits
Authors: Schalbroeck Rik , de Geus-Oei Lioe-Fee , Selten Jean-Paul , Yaqub Maqsood , Schrantee Anouk , van Amelsvoort Therese , Booij Jan , van Velden Floris H. P.
Published: December 2021

Dopaminergic signaling is believed to be related to autistic traits. We conducted an exploratory 3,4-dihydroxy-6-[18F]-fluoro-L-phenylalanine positron emission tomography/computed tomography ([18F]-FDOPA PET/CT) study, to examine cerebral [18F]-FDOPA influx constant (kicer min−1), reflecting predominantly striatal dopamine synthesis capacity and a mixed monoaminergic innervation in extrastriatal neurons, in 44 adults diagnosed with autism spectrum disorder (ASD) and 22 controls, aged 18 to 30 years. Autistic traits were assessed with the Autism Spectrum Quotient (AQ). Region-of-interest and voxel-based analyses showed no statistically significant differences in kicer between autistic adults and controls. In autistic adults, striatal kicer was significantly, negatively associated with AQ attention to detail subscale scores, although Bayesian analyses did not support this finding. In conclusion, among autistic adults, specific autistic traits can be associated with reduced striatal dopamine synthesis capacity. However, replication of this finding is necessary.
Effect of Plano-Valgus Foot on Lower-Extremity Kinematics and Spatiotemporal Gait Parameters in Children of Age 5–9
Authors: Boryczka-Trefler Anna , Kalinowska Małgorzata , Szczerbik Ewa , Stępowska Jolanta , Łukaszewska Anna , Syczewska Małgorzata
Published: December 2021

Aim of the study was to see how a definition of the flexible flat foot (FFF) influences the results of gait evaluation in a group of 49 children with clinically established FFF. Objective gait analysis was performed using VICON system with Kistler force platforms. The gait parameters were compared between healthy feet and FFF using two classifications: in static and dynamic conditions. In static condition, the ink footprints with Clarke’s graphics were used for classification, and in dynamic condition, the Arch Index from Emed pedobarograph while walking was used for classification. When the type of the foot was based on Clarke’s graphics, no statistically significant differences were found. When the division was done according to the Arch Index, statistically significant differences between flat feet and normal feet groups were found for normalized gait speed, normalized cadence, pelvic rotation, ankle range of motion in sagittal plane, range of motion of foot progression, and two parameters of a vertical component of the ground reaction force: FZ2 (middle of stance phase) and FZ3 (push-off). Some statically flat feet function well during walking due to dynamic correction mechanisms.
Putting a Spotlight on Validators of Easy-to-Read Content
Authors: Bernabé Rocío , Cavallo Piero
Published: December 2021

Easy-to-Read content results from applying text simplification principles to make information accessible for persons with reading and learning difficulties. While both the creation process and simplification principles have gained the interest of scholars and the general public in the past years, the role of validators is still less visible compared with that of writers or translators. This paper sought to put a spotlight on validators by answering the questions of who these professionals are, what tasks they take on, and how they have acquired the necessary knowledge and skills for the job. In doing so, it investigated a subset of the data about validators’ demographical and educational backgrounds and current activity collected in an online survey launched within the innovative framework of the Erasmus+ project Train2Validate.
Continuous Viewpoint Planning in Conjunction with Dynamic Exploration for Active Object Recognition
Authors: Sun Haibo , Zhu Feng , Kong Yanzi , Wang Jianyu , Zhao Pengfei
Published: December 2021

Active object recognition (AOR) aims at collecting additional information to improve recognition performance by purposefully adjusting the viewpoint of an agent. How to determine the next best viewpoint of the agent, i.e., viewpoint planning (VP), is a research focus. Most existing VP methods perform viewpoint exploration in the discrete viewpoint space, which have to sample viewpoint space and may bring in significant quantization error. To address this challenge, a continuous VP approach for AOR based on reinforcement learning is proposed. Specifically, we use two separate neural networks to model the VP policy as a parameterized Gaussian distribution and resort the proximal policy optimization framework to learn the policy. Furthermore, an adaptive entropy regularization based dynamic exploration scheme is presented to automatically adjust the viewpoint exploration ability in the learning process. To the end, experimental results on the public dataset GERMS well demonstrate the superiority of our proposed VP method.
Time and Causality: A Thermocontextual Perspective
Authors: Crecraft Harrison
Published: December 2021

The thermocontextual interpretation (TCI) is an alternative to the existing interpretations of physical states and time. The prevailing interpretations are based on assumptions rooted in classical mechanics, the logical implications of which include determinism, time symmetry, and a paradox: determinism implies that effects follow causes and an arrow of causality, and this conflicts with time symmetry. The prevailing interpretations also fail to explain the empirical irreversibility of wavefunction collapse without invoking untestable and untenable metaphysical implications. They fail to reconcile nonlocality and relativistic causality without invoking superdeterminism or unexplained superluminal correlations. The TCI defines a system’s state with respect to its actual surroundings at a positive ambient temperature. It recognizes the existing physical interpretations as special cases which either define a state with respect to an absolute zero reference (classical and relativistic states) or with respect to an equilibrium reference (quantum states). Between these special case extremes is where thermodynamic irreversibility and randomness exist. The TCI distinguishes between a system’s internal time and the reference time of relativity and causality as measured by an external observer’s clock. It defines system time as a complex property of state spanning both reversible mechanical time and irreversible thermodynamic time. Additionally, it provides a physical explanation for nonlocality that is consistent with relativistic causality without hidden variables, superdeterminism, or “spooky action”.
The Causal Interaction between Complex Subsystems
Authors: Liang X. San
Published: December 2021

Information flow provides a natural measure for the causal interaction between dynamical events. This study extends our previous rigorous formalism of componentwise information flow to the bulk information flow between two complex subsystems of a large-dimensional parental system. Analytical formulas have been obtained in a closed form. Under a Gaussian assumption, their maximum likelihood estimators have also been obtained. These formulas have been validated using different subsystems with preset relations, and they yield causalities just as expected. On the contrary, the commonly used proxies for the characterization of subsystems, such as averages and principal components, generally do not work correctly. This study can help diagnose the emergence of patterns in complex systems and is expected to have applications in many real world problems in different disciplines such as climate science, fluid dynamics, neuroscience, financial economics, etc.
The Impacts of Credit Standards on Aggregate Fluctuations in a Small Open Economy: The Role of Monetary Policy
Authors: Le Hai
Published: December 2021

Empirical evidence demonstrates that credit standards, including lending margins and collateral requirements, move in a countercyclical direction. In this study, we construct a small open economy model with financial frictions to generate the countercyclical movement in credit standards. Our analysis demonstrates that countercyclical fluctuations in credit standards work as an amplifier of shocks to the economy. In particular, the existence of endogenous credit standards increases output volatility by 21%. We also suggest three alternative tools for policymakers to dampen the effects of endogenous credit standards on macroeconomic volatility. First, the introduction of credit growth to the monetary policy succeeds in counteracting the fluctuation of lending, and thus decreasing the additional volatility considerably. Second, the exchange rate augmented monetary policy, if well-constructed, is considered an efficient tool to eliminate most of the additional fluctuations caused by deep habits in the banking sector. Finally, the introduction of the foreign interest augmented policy also proves successful in dampening the effect of endogenous movements in lending standards.
Environmental Threats and Geographical Education: Students’ Sustainability Awareness—Evaluation
Authors: Urbańska Magdalena , Charzyński Przemysław , Gadsby Helen , Novák Tibor József , Şahin Salih , Yilmaz Monica Denise
Published: December 2021

Teaching geography creates an opportunity for the transfer of knowledge about environmental problems and ways of solving them. Teachers from the Czech Republic, Hungary, Poland, Romania, Turkey, and the United Kingdom indicated strengths and weaknesses of physical geography as well as the selected geographical concepts of: Maps/Cartography, Astronomy/The Earth in the Universe, Atmosphere, Hydrosphere, Endogenic processes, Exogenic processes, and Soils and biosphere. There was a variety in how confident students were around these topic areas. The main types of difficulties identified by the study were: too little time for implementation, difficult terminology, and lack of tools for the proper transfer of knowledge. Moreover, the attractiveness of individual issues for students also varies. The research clearly shows that students lack an awareness of problems related to the environment. There are considerable differences between the level of students’ knowledge about climate change or air and water pollution (relatively high awareness of global warming) and issues related to soil and vegetation cover (low awareness of soil depletion, soil pollution, changing the boundaries of the occurrence of plant zones, etc.). To make people aware of the importance of environment, we should take care of education in relation to global challenge and sustainable development.
Trip Based Modeling of Fuel Consumption in Modern Heavy-Duty Vehicles Using Artificial Intelligence
Authors: Katreddi Sasanka , Thiruvengadam Arvind
Published: December 2021

Heavy-duty trucks contribute approximately 20% of fuel consumption in the United States of America (USA). The fuel economy of heavy-duty vehicles (HDV) is affected by several real-world parameters like road parameters, driver behavior, weather conditions, and vehicle parameters, etc. Although modern vehicles comply with emissions regulations, potential malfunction of the engine, regular wear and tear, or other factors could affect vehicle performance. Predicting fuel consumption per trip based on dynamic on-road data can help the automotive industry to reduce the cost and time for on-road testing. Data modeling can easily help to diagnose the reason behind fuel consumption with a knowledge of input parameters. In this paper, an artificial neural network (ANN) was implemented to model fuel consumption in modern heavy-duty trucks for predicting the total and instantaneous fuel consumption of a trip based on very few key parameters, such as engine load (%), engine speed (rpm), and vehicle speed (km/h). Instantaneous fuel consumption data can help to predict patterns in fuel consumption for optimized fleet operations. In this work, the data used for modeling was collected at a frequency of 1Hz during on-road testing of modern heavy-duty vehicles (HDV) at the West Virginia University Center for Alternative Fuels Engines and Emissions (WVU CAFEE) using the portable emissions monitoring system (PEMS). The performance of the artificial neural network was evaluated using mean absolute error (MAE) and root mean square error (RMSE). The model was further evaluated with data collected from a vehicle on-road trip. The study shows that artificial neural networks performed slightly better than other machine learning techniques such as linear regression (LR), and random forest (RF), with high R-squared (R2) and lower root mean square error.
Heavy-Ion Fusion Reaction Calculations: Establishing the Theoretical Frameworks for 111In Radionuclide over the Coupled Channel Model
Authors: Cinan Zehra Merve , Erol Burcu , Baskan Taylan , Yilmaz Ahmet Hakan
Published: December 2021

In this work, the production of I111n radionuclide has been investigated theoretically via heavy-ion fusion reactions of two stable nuclei: C37l+G74e, M26g+R85b, S30i+B81r, and C46a+C65u reactions. Fusion cross-sections, barrier distributions, and potential energies on mutual orientations in the reactions planes of all reactions have been researched in detail around the barrier region via a coupled channel (CC) model using different codes. First of all, the most suitable codes and calculation parameter sets were determined through the C37l+G74e reaction, whose experimental data were available. The compatibility of the calculations via NRV knowledge base, CCFULL, CCDEF codes, and Wong’s formula with experimental data was analyzed. Barrier distributions and cross-sections for heavy-ion fusion reactions have been investigated with miscellaneous codes and vibrational-rotational nuclei combinations for interacting nuclei. Afterward, calculations were made with the determined parameter values for new reaction suggestions (M26g+R85b, S30i+B81r, and C46a+C65u reactions) and the results were compared. This study aims to suggest the new reaction combinations for the production of 111In radionuclide, to explore the impacts of different calculation codes and nuclear parameter combinations on the heavy-ion fusion cross-sections and barrier distributions, to demonstrate that the results are reliable, and to emphasize the importance of developing these studies in the preparation of new experiments.
Numerical Modelling of Various Aspects of Pipe Pile Static Load Test
Authors: Baca Michał , Ivannikov Alexander L. , Rybak Jarosław
Published: December 2021

Due to the development of dedicated software and the computing capabilities of modern computers, the application of numerical methods to analyse more complex geotechnical problems is becoming increasingly common. However, there are still some areas which, due to the lack of unambiguous solutions, require a more thorough examination, e.g., the numerical simulations of displacement pile behaviour in soil. Difficulties in obtaining the convergence of simulations with the results of static load tests are mainly caused by problems with proper modelling of the pile installation process. Based on the numerical models developed so far, a new process of static load test modelling has been proposed, which includes the influence of pile installation on the soil in its vicinity and modelling of contact between steel pile and the soil. Although the presented method is not new, this is relevant and important for practitioners that may want to improve the design of displacement piles. The results of the numerical calculations were verified by comparing them with the results of pipe pile field tests carried out in a natural scale on the test field in Southern Poland.
The Method to Determine the Turns Ratio Correction of the Inductive Current Transformer
Authors: Stano Ernest
Published: December 2021

This paper presents the method for evaluation of the turns ratio correction of the inductive current transformer using the magnetization curves determined at the non-load state and in the load conditions. The presented method may be applied to determine even a fractional winding correction factor. The standard IEC 61869-2 provides the method to determine the turns ratio correction of the tested CT from the measured rms values of voltages on its primary and secondary winding in the non-load state. However, this approach is limited in determining the significant changes in the number of turns of the secondary winding. Moreover, the paper presents the influence of the applied turns ratio correction on the frequency characteristics of the current error and phase displacement of the inductive current transformers evaluated for the transformation of the distorted current.
On the Use of Robust Techniques in Smart Grid Control
Authors: Fusco Giuseppe
Published: December 2021

This paper discusses the application of robust control techniques to a smart grid (SG) in order to find more powerful and suitable control tools to guarantee SG robustness. Two key aspects are in particular discussed. The first one relates to the need of a suitably model for the SG. The second one relates to the selection of an appropriate robust control technique to guarantee rejection of the adverse effects caused by mutual interactions among control loops and model uncertainty. The final purpose is to bridge the gap between the power of robust control theorems and the reality of SG operations.
Numerical Demonstration of an Unconventional EGS Arrangement
Authors: Danko George L. , Baracza M. K.
Published: December 2021

A new EGS arrangement, Robust EGS (REGS), is studied for its potential benefits for wide-spread applications for clean, carbon-free, electrical energy generation. Numerical simulations are carried out to prove the key benefit of REGS in a simple, but effective, geologic heat exchanger arrangement with large, stabilized fracture aperture and controlled flow zones. The numerical model results show the estimated potential energy capacity and the converted value to electrical energy generation over a 30-year operation time period for two simple REGS arrangements. The results may assist EGS investors and drilling companies in deciding whether the investment and operation can be made profitable for the wide-scale application of REGS for green energy generation.
The Effects of Module Temperature on the Energy Yield of Bifacial Photovoltaics: Data and Model
Authors: Leonardi Marco , Corso Roberto , Milazzo Rachela G. , Connelli Carmelo , Foti Marina , Gerardi Cosimo , Bizzarri Fabrizio , Privitera Stefania M. S. , Lombardo Salvatore A.
Published: December 2021

Bifacial photovoltaics (BPVs) are emerging with large momentum as promising solutions to improve energy yield and cost of PV systems. To reach its full potential, an accurate understanding of the physical characteristics of BPV technology is required. For this reason, we collected experimental data to refine a physical model of BPV. In particular, we simultaneously measured the module temperature, short circuit current (Isc), open-circuit voltage (Voc), power at the maximum power point (Pmpp), and the energy yield of a bifacial and a monofacial minimodule. Such minimodules, realised with the same geometry, cell technology, and module lamination, were tested under the same clear sky outdoor conditions, from morning to afternoon, for three days. The bifacial system experimentally shows higher module temperatures under operation, about 10 °C on a daily average of about 40 °C. Nevertheless, its energy yield is about 15% larger than the monofacial one. We propose a physical quantitative model that fits the experimental data of module temperature, Isc, Voc, Pmpp, and energy yield. The model was then applied to predict the annual energy yield of PV module strings. The effect of different PV module temperature coefficients on the energy yield is also discussed.
Fungal Secondary Metabolism
Authors: Avalos Javier , Limón M. Carmen
Published: December 2021

Fungal secondary metabolites (SMs) comprise a vast collection of compounds expendable for these organisms under laboratory conditions. They exhibit enormous chemical diversity, and usually belong to four major families: terpenoids, polyketides, non-ribosomal peptides, or a combination of the last two. Their functions are very diverse and are normally associated with a greater fitness of the producing fungi in their environment, which often compete with other microorganisms or interact with host plants. Many SMs have beneficial applications, e.g., as antibiotics or medical drugs, but others, known as mycotoxins, are harmful to health.
Ammonia–Nitrate Mixture Dominated by NH4+–N Promoted Growth, Photosynthesis and Nutrient Accumulation in Pecan (Carya illinoinensis)
Authors: Chen Mengyun , Zhu Kaikai , Tan Pengpeng , Liu Junping , Xie Junyi , Yao Xiuwen , Chu Guolin , Peng Fangren
Published: December 2021

Although ammonia–nitrogen (NH4+–N) and nitrate–nitrogen (NO3−–N) are the two main forms of N absorbed and utilized by plants, the preferences of plants for these forms are still unclear. In this study, we analyzed the growth, photosynthesis, and nutrients of pecan under different NH4+:NO3− ratios (0/0, 0/100, 25/75, 50/50, 75/25, 100/0) by indoor aerosol incubation. The results showed that additions of different N forms promoted the growth and development of pecan seedlings. When NO3−–N was used as the sole N source, it significantly promoted the ground diameter growth of pecan and increased the leaf pigment content and photosynthetic rate. The NH4+:NO3− ratio of 75:25 and NH4+–N as the sole N source significantly increased the soluble sugars in stems and roots, starch in leaves, stems and roots, soluble protein in leaves and stems, and soluble phenols in stems and roots. Additionally, the NH4+:NO3− ratio of 75:25 increased plant height, leaf number, root soluble protein, and leaf soluble phenol contents. In conclusion, regarding the physiological aspects of pecan growth, pecans are more inclined to use NH4+–N. Considering that the NH4+–N as the only N source may lead to nutrient imbalance or even toxicity, the NH4+:NO3− ratio of 75:25 was most favorable for the growth and development of pecan seedlings.
Query Processing in Blockchain Systems: Current State and Future Challenges
Authors: Przytarski Dennis , Stach Christoph , Gritti Clémentine , Mitschang Bernhard
Published: December 2021

When, in 2008, Satoshi Nakamoto envisioned the first distributed database management system that relied on cryptographically secured chain of blocks to store data in an immutable and tamper-resistant manner, his primary use case was the introduction of a digital currency. Owing to this use case, the blockchain system was geared towards efficient storage of data, whereas the processing of complex queries, such as provenance analyses of data history, is out of focus. The increasing use of Internet of Things technologies and the resulting digitization in many domains, however, have led to a plethora of novel use cases for a secure digital ledger. For instance, in the healthcare sector, blockchain systems are used for the secure storage and sharing of electronic health records, while the food industry applies such systems to enable a reliable food-chain traceability, e.g., to prove compliance with cold chains. In these application domains, however, querying the current state is not sufficient—comprehensive history queries are required instead. Due to these altered usage modes involving more complex query types, it is questionable whether today’s blockchain systems are prepared for this type of usage and whether such queries can be processed efficiently by them. In our paper, we therefore investigate novel use cases for blockchain systems and elicit their requirements towards a data store in terms of query capabilities. We reflect the state of the art in terms of query support in blockchain systems and assess whether it is capable of meeting the requirements of such more sophisticated use cases. As a result, we identify future research challenges with regard to query processing in blockchain systems.
Dynamics of Fractional Model of Biological Pest Control in Tea Plants with Beddington–DeAngelis Functional Response
Authors: Achar Sindhu J. , Baishya Chandrali , Veeresha Pundikala , Akinyemi Lanre
Published: December 2021

In this study, we depicted the spread of pests in tea plants and their control by biological enemies in the frame of a fractional-order model, and its dynamics are surveyed in terms of boundedness, uniqueness, and the existence of the solutions. To reduce the harm to the tea plant, a harvesting term is introduced into the equation that estimates the growth of tea leaves. We analyzed various points of equilibrium of the projected model and derived the conditions for the stability of these equilibrium points. The complex nature is examined by changing the values of various parameters and fractional derivatives. Numerical computations are conducted to strengthen the theoretical findings.
Recent Advances in Mupirocin Delivery Strategies for the Treatment of Bacterial Skin and Soft Tissue Infection
Authors: Gangwar Aishwarya , Kumar Parveen , Singh Ranjit , Kush Preeti
Published: December 2021

Skin and soft tissue infections (SSTIs) have increased problematically in hospital and ambulatory settings due to the poor immunity of hosts and multidrug-resistant pathogens. Mupirocin (MUP), a global topical antibiotic, is used for the treatment of SSTIs caused by various pathogens due to its unique mechanism of action. However, the therapeutic efficiency of MUP is hampered due to the protein binding and drug resistance caused by frequent use. A combined report covering the various aspects of MUP, such as the synthesis of the novel formulation, loading of the drug, and application against various skin infections, is missing. This comprehensive review focuses on various novel drug delivery strategies such as composite biomaterials/scaffold, hydrogel dressings, liposomes, liposomal hydrogel, microparticles/microspheres, microsponges, nanocapsules, nanofibers, silicone-based adhesive patches, and topical sprays. The therapeutic effect of the MUP can be synergized by combining with other agents and using novel strategies. The objective is to enhance patient compliance, decrease the resistance, magnify the delivery of MUP, and overcome the limitations of conventional formulations. Moreover, the carriers/dressing materials are biocompatible, biodegradable, stimulate wound healing, protect the wound from external environmental contamination, adsorb the wound exudates, and are permeable to oxygen and moisture. This review will help researchers to explore further the treatment of various bacterial skin infections by using MUP-loaded novel formulations with better efficacy, utilizing the novel nanostructures or combinatorial methods.
Self-Enforcing Collective Counterterror Retaliation
Authors: de Oliveira Andre Rossi , Silva Emilson Caputo Delfino
Published: December 2021

Motivated by recent examples of collective effort on the war on terror, we examine the incentives that retaliation may produce for the endogenous formation of an international counterterror coalition. We show that there are quite reasonable circumstances under which any nation that is a target of a terrorist attack finds it desirable to be a member of the international counterterror coalition, holding the choices of all other nations as given. The incentives to join the coalition are the group-specific benefits from retaliation enjoyed by each coalition member, the relatively lower spillover benefit from retaliation enjoyed by each stand-alone nation, and the inability of pre-emptive measures to avert terrorist attacks. The disincentive to join is the anticipated backlash from retaliation, which targets coalition members only.
Partial Order Games
Authors: Zahoransky Valeria , Gutierrez Julian , Harrenstein Paul , Wooldridge Michael
Published: December 2021

We introduce a non-cooperative game model in which players’ decision nodes are partially ordered by a dependence relation, which directly captures informational dependencies in the game. In saying that a decision node v is dependent on decision nodes v1,…,vk, we mean that the information available to a strategy making a choice at v is precisely the choices that were made at v1,…,vk. Although partial order games are no more expressive than extensive form games of imperfect information (we show that any partial order game can be reduced to a strategically equivalent extensive form game of imperfect information, though possibly at the cost of an exponential blowup in the size of the game), they provide a more natural and compact representation for many strategic settings of interest. After introducing the game model, we investigate the relationship to extensive form games of imperfect information, the problem of computing Nash equilibria, and conditions that enable backwards induction in this new model.
Development, Optimization, and In Vitro Evaluation of Novel Oral Long-Acting Resveratrol Nanocomposite In-Situ Gelling Film in the Treatment of Colorectal Cancer
Authors: Md Shadab , Abdullah Samaa , Alhakamy Nabil A. , Alharbi Waleed S. , Ahmad Javed , Shaik Rasheed A. , Ansari Mohammad Javed , Ibrahim Ibrahim M. , Ali Javed
Published: December 2021

This study aimed to develop and evaluate sustained-release (SR) long-acting oral nanocomposites in-situ gelling films of resveratrol (Rv) to treat colorectal cancer. In these formulations, Rv-Soy protein (Rv-Sp) wet granules were prepared by the kneading method and then encapsulated in the sodium alginate (NA) dry films. The prepared nanocomposite in-situ gels films were characterized using dynamic light scattering, Fourier-transform infrared spectroscopy, X-ray diffraction, and scanning electron microscopy. The optimized formulations were further evaluated based on drug encapsulation efficiency, pH-drug release profile, swelling study, and storage time effects. The optimized formulation was tested for its anticancer activity against colorectal cancer cells using the cytotoxicity assessment, apoptosis testing, cell cycle analysis, gene expression analysis, and protein estimation by the reverse-transcriptase polymerase chain reaction and enzyme-linked immunosorbent assay methods, respectively. The optimum film showed encapsulation efficiency of 97.87% ± 0.51 and drug release of 14.45% ± 0.043 after 8 h. All physiochemical characterizations confirmed, reasoned, and supported the drug release experiment’s findings and the encapsulation assay. The Rv nanocomposite formulation showed concentration-dependent cytotoxicity enhanced apoptotic activity as compared to free Rv (p < 0.05). In addition, Rv nanocomposite formulation caused a significant increase in Bcl-2-associated protein X (Bax) and a decrease in expression of B-cell lymphoma 2, interleukin 1 beta, IL-6, and tumor necrosis factor-alpha (Bcl2, IL-1β, IL-6, and TNF-α respectively) compared to that of free Rv in HCT-116 cells. These results suggest that long-acting Rv nanocomposite gels could be a promising agent for colorectal cancer treatment.
Ionic Liquid-Based Gels for Applications in Electrochemical Energy Storage and Conversion Devices: A Review of Recent Progress and Future Prospects
Authors: Sultana Sharmin , Ahmed Kumkum , Jiwanti Prastika Krisma , Wardhana Brasstira Yuva , Shiblee MD Nahin Islam
Published: December 2021

Ionic liquids (ILs) are molten salts that are entirely composed of ions and have melting temperatures below 100 °C. When immobilized in polymeric matrices by sol–gel or chemical polymerization, they generate gels known as ion gels, ionogels, ionic gels, and so on, which may be used for a variety of electrochemical applications. One of the most significant research domains for IL-based gels is the energy industry, notably for energy storage and conversion devices, due to rising demand for clean, sustainable, and greener energy. Due to characteristics such as nonvolatility, high thermal stability, and strong ionic conductivity, IL-based gels appear to meet the stringent demands/criteria of these diverse application domains. This article focuses on the synthesis pathways of IL-based gel polymer electrolytes/organic gel electrolytes and their applications in batteries (Li-ion and beyond), fuel cells, and supercapacitors. Furthermore, the limitations and future possibilities of IL-based gels in the aforementioned application domains are discussed to support the speedy evolution of these materials in the appropriate applicable sectors.
Effect of Functional Group on the Catalytic Activity of Lipase B from Candida antarctica Immobilized in a Silica-Reinforced Pluronic F127/α-Cyclodextrin Hydrogel
Authors: Decarpigny Cédric , Ponchel Anne , Monflier Eric , Bleta Rudina
Published: December 2021

Surface modification plays a key role in the fabrication of highly active and stable enzymatic nanoreactors. In this study, we report for the first time the effect of various functional groups (epoxy, amine, trimethyl, and hexadecyl) on the catalytic performance of lipase B from Candida antarctica (CALB) incorporated within a monolithic supramolecular hydrogel with multiscale pore architecture. The supramolecular hydrogel formed by host-guest interactions between α-cyclodextrin (α-CD) and Pluronic F127 was first silicified to provide a hierarchically porous material whose surface was further modified with different organosilanes permitting both covalent anchoring and interfacial activation of CALB. The catalytic activity of nanoreactors was evaluated in the liquid phase cascade oxidation of 2,5-diformylfuran (DFF) to 2,5-furandicarboxylic acid (FDCA) under mild conditions. Results showed that high FDCA yields and high efficiency conversion of DFF could be correlated with the ability of epoxy and amine moieties to keep CALB attached to the carrier, while the trimethyl and hexadecyl groups could provide a suitable hydrophobic-hydrophilic interface for the interfacial activation of lipase. Cationic cross-linked β-CD was also evaluated as an enzyme-stabilizing agent and was found to provide beneficial effects in the operational stability of the biocatalyst. These supramolecular silicified hydrogel monoliths with hierarchical porosity may be used as promising nanoreactors to provide easier enzyme recovery in other biocatalytic continuous flow processes.
Clinical Theragnostic Relationship between Chemotherapeutic Resistance, and Sensitivity and miRNA Expressions in Head and Neck Cancers: A Systematic Review and Meta-Analysis Protocol
Authors: Shaw Peter , Raymond Greg , Senthilnathan Raghul , Kumarasamy Chellan , Baxi Siddhartha , Suresh Deepa , Shetty Sameep , Ram M Ravishankar , Chandramoorthy Harish , Sivanandy Palanisamy , Samiappan Suja , Rajagopal Mogana , Krishnan Sunil , Jayaraj Rama
Published: December 2021

Background: The microRNAs (miRNAs) are small noncoding single-stranded RNAs typically 19–25 nucleotides long and regulated by cellular and epigenetic factors. These miRNAs plays important part in several pathways necessary for cancer development, an altered miRNA expression can be oncogenic or tumor-suppressive. Recent experimental results on miRNA have illuminated a different perspective of the molecular pathogenesis of head and neck cancers. Regulation of miRNA can have a detrimental effect on the efficacy of chemotherapeutic drugs in both neoadjuvant and adjuvant settings. This miRNA-induced chemoresistance can influence the prognosis and survival rate. The focus of the study is on how regulations of various miRNA levels contribute to chemoresistance in head and neck cancer (HNC). Recent findings suggest that up or down-regulation of miRNAs may lead to resistance towards various chemotherapeutic drugs, which may influence the prognosis. Methods: Studies on miRNA-specific chemoresistance in HNC were collected through literary (bibliographic) databases, including SCOPUS, PubMed, Nature, Elsevier, etc., and were systematically reviewed following PRISMA-P guidelines (Preferred Reporting Items for Systematic Review and Meta-analysis Protocol). We evaluated various miRNAs, their up and downregulation, the effect of altered regulation on the patient’s prognosis, resistant cell lines, etc. The data evaluated will be represented in the form of a review and meta-analysis. Discussion: This meta-analysis aims to explore the miRNA-induced chemoresistance in HNC and thus to aid further researches on this topic. PROSPERO registration: CRD42018104657.
Behavioral Interventions in Long-Term Care Facilities during the COVID-19 Pandemic: A Case Study
Authors: Dosil-Díaz Carlos , Facal David , Mouriz-Corbelle Romina
Published: December 2021

During the COVID-19 pandemic, long-term care (LTC) centers have adopted a series of measures that have affected the physical and cognitive health of patients. The routines of the patients, as well as the interventions of professionals, have been altered. In the case presented here, our aim was to explain the effect that the strong confinement due to the spread of the first COVID-19 wave in Spain had on a 75-year-old resident in an LTC center, with cognitive and behavioral symptomatology compatible with a diagnosis of mixed dementia, as well as the measures that the center adopted to manage the lockdown situation in the best possible way, including personalized attention protocols and a video call program. Different nosological hypotheses are also raised using a semiological analysis, including the analysis of the initial and continuation diagnostic protocols, as well as the therapeutic options.