bluuebunny/crossref_metadata_2025 huggingface dataset:
How do external forces related to mass and charge affect the structures and dynamics of an ionic liquid?
Authors: Guan Yongji , Clark Ryan , Philippi Frederik , Zhang Xiaoping , Welton Tom
Published: May 2022

Ionic liquids (ILs) are novel promising materials widely used in various fields. Their structures and properties can be tuned by means of external perturbations, thus further broadening their applications. Herein, forces proportional to atomic mass (mass-related field) and atomic charge (electric field) are applied in molecular dynamics simulations to the IL 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide to investigate the origin of the resulting changes in structures and dynamics. The results show that both electric and mass-related fields cause the ion cages to expand and deform, eventually leading to their breakdown to produce a transformation of ILs from the cage structure to a channel-like structure, which results in faster self-diffusion of ions in the directions of the applied force and to a lesser extent other directions. Further comparison of electric and mass-related fields demonstrates that only the electric fields reorientate cations to produce a hydrodynamically favored conformation in the force direction, which shows faster diffusion. The cis isomer of the anion is preferred in the presence of the electric fields, whereas applying the forces proportional to mass does not change the anion conformer equilibrium significantly. The results presented in this work aid in the understanding of how ions adjust their structures to adapt to external perturbations and facilitate the application of ILs as electrolytes.
Insights into the dynamics of non-Newtonian droplet formation in a T-junction microchannel
Authors: Kumari Pooja , Atta Arnab
Published: May 2022

The non-Newtonian shear-thinning droplet formation mechanism in a T-junction microchannel is experimentally investigated using the aqueous solutions of xanthan gum as the dispersed phase and mineral oil as the continuous phase. Influences of both phase flow rates and polymer concentration on flow regime transition are explored. It is observed that the initial vertical expansion stage is present only for the Newtonian and lower shear-thinning systems. The droplet evolution rate shows the influence of continuous phase flow rate and shear-thinning properties on the dynamics of necking stages, viz., squeezing, transition, pinch-off, and filament thinning. Analysis of Ohnesorge number (Oh) reveals that inertial force dominates in the squeezing stage, whereas viscous and interfacial force control in the filament thinning stage. Longer and stable filament generation is detected as a discerning feature for non-Newtonian systems that appears more prominent with increasing dispersed phase shear-thinning properties. The results also indicate an inverse relation of droplet length with the continuous phase flow rate and xanthan gum concentration, while the droplet formation frequency and its polydispersity vary directly with those parameters.
Wireless real-time capacitance readout based on perturbed nonlinear parity-time symmetry
Authors: Yin Ke , Huang Yuangen , Ma Chao , Hao Xianglin , Gao Xiaoke , Ma Xikui , Dong Tianyu
Published: May 2022

In this article, we report a vector-network-analyzer-free and real-time LC wireless capacitance readout system based on perturbed nonlinear parity-time (PT) symmetry. The system is composed of two inductively coupled reader-sensor parallel RLC resonators with gain and loss, respectively. By searching for the real mode that requires the minimum saturation gain, the steady-state frequency evolution as a function of the sensor capacitance perturbation is analytically deduced. The proposed system can work in different modes by setting different perturbation points. In particular, at the exceptional point of PT symmetry, the system exhibits high sensitivity. Experimental demonstrations revealed the viability of the proposed readout mechanism by measuring the steady-state frequency of the reader resonator in response to the change of trimmer capacitor on the sensor side. Our findings could impact many emerging applications such as implantable medical device for health monitoring, parameter detection in harsh environment, sealed food packages, etc.
Note: Reproducibility of potential energy surfaces of organic/metal interfaces on the example of PTCDA on Ag(111)
Authors: Hörmann Lukas , Jeindl Andreas , Hofmann Oliver T.
Published: May 2022

We recently published a benchmark study of common local, semi-local, and non-local exchange correlation functionals in combination with various van der Waals (vdW) corrections, where we investigated the reproducibility of the potential energy surface of perylenetetracarboxylic dianhydride on Ag(111). This Note presents an additional benchmark of the recently developed non-local many body dispersion (MBD-NL) vdW correction, coupled with the Perdew–Burke–Ernzerhof (PBE) functional. We find that this computation method shows similar performance as the established approaches. Notably, it yields very similar results as PBE + MBD.
Involvement of extracellular vesicle-encapsulated miRNAs in human reproductive disorders: a systematic review
Authors: Barranco Isabel , Salas-Huetos Albert , Berlanga Angel , Spinaci Marcella , Yeste Marc , Ribas-Maynou Jordi
Published: May 2022

In recent years, extracellular vesicles (EVs) have emerged as essential players in cell-to-cell communication, particularly having an active regulating role in biological systems. Because reproductive-associated processes are not exempt of this communication, multiple studies have been devoted to this realm, focusing on gamete maturation, embryo implantation or fetal development. The aim of the present review was to comprehensively and systematically collect evidence about the function of the microRNA (miRNA) encapsulated in EVs isolated from different reproductive tissues or fluids in reproductive-related diseases. Following PRISMA guidelines, we conducted a systematic search of the literature published in MEDLINE-PubMed until the end of February 2021. After selection, 32 studies were included in the qualitative review comparing the miRNA expression profile in EVs between different pathological disorders. Most reports showed the potential of the miRNAs carried by EVs to be used as putative biomarkers of reproductive disorders, including pregnancy affections, disease progression and quality of preimplantation embryos. The most relevant miRNAs were found to be highly heterogeneous among studies, with some conflicting results. Further research is thus warranted to address whether cofounding factors, such as the methods to isolate EVs and miRNAs, the subset of EVs, the criteria of patient selection, the timing of sample retrieval, or any other factor, may explain the inconsistencies between studies.
Input-specific control of interneuron numbers in nascent striatal networks
Authors: Sreenivasan Varun , Serafeimidou-Pouliou Eleni , Exposito-Alonso David , Bercsenyi Kinga , Bernard Clémence , Bae Sung-Eun , Oozeer Fazal , Hanusz-Godoy Alicia , Edwards Robert H. , Marín Oscar
Published: May 2022

Significance

Brain function requires appropriate numbers of different neuronal subtypes, but how these numbers are established remains poorly understood. Here, we identified a key role for the cerebral cortex in remotely controlling interneuron survival and thus establishing appropriate numbers of the two main types of interneurons in another brain region, the striatum. While cortical pyramidal cells directly control the survival of parvalbumin-expressing GABAergic neurons, the survival of cholinergic interneurons is indirectly controlled through the activity of the striatal medium spiny neurons. Our results demonstrate that the input-specific modulation of neuronal activity is universally required to control the survival of interneurons across very different brain circuits. This is important for the assembly of balanced neural networks.
Phenol-soluble modulins PSMα3 and PSMβ2 form nanotubes that are cross-α amyloids
Authors: Kreutzberger Mark A. B. , Wang Shengyuan , Beltran Leticia C. , Tuachi Abraham , Zuo Xiaobing , Egelman Edward H. , Conticello Vincent P.
Published: May 2022

Significance

The formation of cross-α amyloids has been shown by crystallographic analysis of the highly cytolytic peptide PSMα3, a secreted virulence factor associated with the human pathogen
Staphylococcus aureus
. However, the relationship of the crystallographic cross-α structure to self-assembled filaments of PSMα3 and its relevance to other phenol-soluble modulin (PSM) peptides remained an open question. We report the cryo–electron microscopy structural analysis of three nanotubes derived from self-assembly of PSMα3 and PSMβ2 peptides in aqueous solution. In each case, the nanotubes are derived from self-association of cross-α amyloid protofilaments. The self-assembly behavior of
S. aureus
PSMα3 and PSMβ2 peptides provides strong evidence for the importance of the cross-α fold in self-assembled peptide and protein structures in general and for PSMs in particular.
Proton-coupled electron transfer of macrocyclic ring hydrogenation: The chlorinphlorin
Authors: Sun Rui , Liu Mengran , Zheng Shao-Liang , Dogutan Dilek K. , Costentin Cyrille , Nocera Daniel G.
Published: May 2022

Significance

The chemical reduction of unsaturated bonds occurs by hydrogenation with H2as the reductant. Conversely, in biology, the unavailability of H2engenders the typical reduction of unsaturated bonds with electrons and protons from different cofactors, requiring olefin hydrogenation to occur by proton-coupled electron transfer (PCET). Moreover, the redox noninnocence of tetrapyrrole macrocycles furnishes unusual PCET intermediates, including the phlorin, which is an intermediate in tetrapyrrole ring reductions. Whereas the phlorin of a porphyrin is well established, the phlorin of a chlorin is enigmatic. By controlling the PCET reactivity of a chlorin, including the use of a hangman functionality to manage the proton transfer, the formation of a chlorinphlorin by PCET is realized, and the mechanism for its formation is defined.
An approach for evaluating the effects of dietary fiber polysaccharides on the human gut microbiome and plasma proteome
Authors: Delannoy-Bruno Omar , Desai Chandani , Castillo Juan J. , Couture Garret , Barve Ruteja A. , Lombard Vincent , Henrissat Bernard , Cheng Jiye , Han Nathan , Hayashi David K. , Meynier Alexandra , Vinoy Sophie , Lebrilla Carlito B. , Marion Stacey , Heath Andrew C. , Barratt Michael J. , Gordon Jeffrey I.
Published: May 2022

Significance

Dietary fibers contain complex mixtures of biomolecules, making it difficult to develop/test hypotheses about how different fiber-types impact different components of the human gut microbiome and how microbiome changes that they produce are linked to human physiology. Here, we analyze microbiome and plasma proteome responses to consumption of two fiber-enriched snacks in two human studies. We use a variety of computational methods to correlate their effects on gut microbiome genes encoding enzymes that degrade complex fiber-associated polysaccharides, the microbial products of polysaccharide degradation, and plasma proteins representing diverse physiological processes. This approach can be used to guide the design of fiber-containing snacks that more precisely manipulate microbiome features in ways that improve nutritional and health status.
Recycling spent LiNi
1-x-y
Mn
x
Co
y
O
2
cathodes to bifunctional NiMnCo catalysts for zinc-air batteries
Authors: Jiao Miaolun , Zhang Qi , Ye Chenliang , Liu Zhibo , Zhong Xiongwei , Wang Junxiong , Li Chuang , Dai Lixin , Zhou Guangmin , Cheng Hui-Ming
Published: May 2022

Significance

In recent years, lithium-ion batteries (LIBs) have been widely applied in electric vehicles as energy storage devices. However, it is a great challenge to deal with the large number of spent LIBs. In this work, we employ a rapid thermal radiation method to convert the spent LIBs into highly efficient bifunctional NiMnCo-activated carbon (NiMnCo-AC) catalysts for zinc-air batteries (ZABs). The obtained NiMnCo-AC catalyst shows excellent electrochemical performance in ZABs due to the unique core-shell structure, with face-centered cubic Ni in the core and spinel NiMnCoO
4
in the shell. This work provides an economical and environment-friendly approach to recycling the spent LIBs and converting them into novel energy storage devices.
Applications of alloy design to cracking resistance of additively manufactured Ni-based alloys
Authors: Markanday J. F. S.
Published: May 2022

Utilisation of additive manufacturing (AM) for the fabrication of Ni-based alloys has seen a massive uptake in both academic and commercial institutions. However, processing of traditional Ni-based superalloys through AM has encountered numerous cracking issues. The primary forms of cracking include solidification, solid-state and liquation mechanisms. Many of these forms of cracking are influenced by the compositions, with certain Ni-based systems showing impressive resistance. The design of novel alloys systems specifically tuned for processing through AM might be necessary to realise the potential of these techniques. Recently, researchers have taken advantage of improved computational alloy design frameworks. These frameworks utilise methods such as neural networks to analyse massive volumes of data and predict compositions that might satisfy specific design criteria.
Hypoxia induces adrenomedullin from lung epithelia, stimulating ILC2 inflammation and immunity
Authors: Han Jihye , Wan Qingqing , Seo Goo-Young , Kim Kenneth , el Baghdady Sarah , Lee Jee H. , Kronenberg Mitchell , Liu Yun-Cai
Published: May 2022

Hypoxia contributes to airway inflammation and remodeling in several lung diseases; however, exactly how hypoxic pulmonary epithelium regulates allergic inflammation remains to be fully characterized. Here, we report that conditional deletion of the E3 ubiquitin ligase VHL in lung epithelial cells resulted in exacerbated type 2 responses accompanied by selective increase of group 2 innate lymphoid cells (ILC2s) at steady state and following inflammation or helminth infection. Ablation of expression of the hypoxia-inducible factor 2α (HIF2α) significantly reversed VHL-mediated ILC2 activation. VHL deficiency in lung epithelial cells caused increased expression of the peptide hormone adrenomedullin (ADM), and our data suggest that HIF2α controls Adm expression. ADM directly promoted ILC2 activation both in vitro and in vivo. Our findings indicate that the hypoxic response mediated by the VHL–HIF2α axis is critical for control of pulmonary type 2 responses by increasing ADM expression in lung epithelia, causing ILC2 activation.
Thermal hysteresis of magnetization in NiFe/IrMn exchange-biased ferromagnet
Authors: Talantsev Artem , Bakhmetiev Maxim , Morgunov Roman
Published: May 2022

Magnetization reversal in NiFe/IrMn exchange-biased thin films was investigated under thermal cycling in an external magnetic field, applied opposite to the direction of the exchange bias field. Thermal hysteresis of magnetization accompanied by changes in magnetization polarity was observed in the applied field close to the exchange bias value. This effect appears when thermally induced variations of the exchange bias exceed the corresponding variations in coercivity. The amplitude of magnetization reversal in NiFe/IrMn structures exceeds ∼100 times the corresponding amplitude in spin-crossover molecular compounds. The observed bistability of the magnetic state, revealed by thermal hysteresis, gradually disappears with an increase in the number of cooling–heating thermal cycles, that indicates an irreversible quenching of the interfacial magnetization configuration. This effect paves the way for the creation of a new class of switching devices with thermally assisted bistability in the ferromagnetic state.
Observation of Griffiths-like phase in the quaternary Heusler compound NiFeTiSn
Authors: Chatterjee Snehashish , Giri Saurav , Majumdar Subham , Dutta Prabir , Singha Pintu , Banerjee Aritra
Published: May 2022

The quaternary Heusler compound NiFeTiSn can be considered to be derived from the exotic pseudogap-compound Fe2TiSn by the replacement of one Fe atom by Ni. In contrast to Fe2TiSn, which shows a disorder induced ferromagnetic phase, the ground state of NiFeTiSn is antiferromagnetic with the signature of spin canting. Interestingly, NiFeTiSn shows a Griffiths-like phase characterized by isolated ferromagnetic clusters before attaining the antiferromagnetic state. The Griffiths-like phase is possibly associated with the antisite disorder between Fe and Ti sites as evident from our powder x-ray diffraction study. The compound also shows rather unusual temperature dependence of resistivity, which can be accounted by the prevailing structural disorder in the system. NiFeTiSn turned out to be a rare example where Griffiths-like phase is observed in a semiconducting 3d transition metal based intermetallic compound with antiferromagnetic ground state.
Assessing the optical configuration of a structured light scanner in metrological use
Authors: Schild Leonard , Sasse Fabian , Kaiser Jan-Philipp , Lanza Gisela
Published: May 2022

Structured light scanners for three-dimensional surface acquisition (SL scanners) are increasingly used for dimensional metrology. The optical configuration of SL scanners (focal length and baseline distance) influences the triangulation process, on which the scanners’ measurement principle relies. So far, only a limited number of studies has investigated the optical configuration’s influence on the accuracy of a SL scanner. To close this gap, this work presents a design of experiment in which the optical configuration of a SL scanner is systematically varied and its influence on the accuracy evaluated. Further, tactile reference measurements allow to separate random from systematical errors, while a special test specimen is used in two different configurations to ensure general applicability of the findings. Thus, this work provides support when designing a SL scanner by highlighting which optical configuration maximizes accuracy.
Virtual experimental activities: a new approach
Authors: Rodrigues M , Carvalho P Simeão
Published: May 2022

Nowadays, students have digital skills that are much larger than any other student in the past. Traditional experiments in a real laboratory are still fundamental, however an increasing number of computers can be used to simulate experiments close to the experimental environment. This can be seen as a great advantage for science learning, as students are more involved with various contexts that are freely available in digital resources but are difficult or not easily reproduced in the real laboratory. In this study we present a new perspective for pedagogical computational simulations to complement and/or support experimental activities at school. We call these simulations virtual experimental activities (VEAs). These are virtual environments that simulate real complex physical phenomena, to be studied by the user (student) from an investigational perspective. With VEAs, teachers can help students develop skills in terms of experimental research and extend the experimental activity beyond the laboratory class. Almost all experimental features and skills can be trained with this type of simulation, except for physical dexterity with real instruments and experimental sets. To complement our exposition, we present a simple VEA as an example to show how it can be used at school.
Young’s modulus determination for a vibrated metal ruler using Arduino
Authors: Phayphung Wissarut , Rakkapao Suttida , Prasitpong Singha
Published: May 2022

The article introduces a low-cost Arduino sensor into the Young’s modulus determination laboratory for physics university students. A stainless steel ruler is used as a cantilever beam. Its free end attached a mass is slightly bent and released to make it oscillate as a simple harmonic motion. The Arduino sensor detects the moving mass’s frequency at different loaded forces. This technique shows an acceptable value of Young’s modulus for the used ruler.
Development of a novel valve-based piezoelectric ultrasonic pump using a Langevin vibrator
Authors: Pan Qiaosheng , Jiang Haiyang , Zhang Yifang , Li Ruijun , Huang Bin , Huang Qiangxian
Published: May 2022

In this study, a new principle valve-based piezoelectric ultrasonic pump (VPUP) consisting of a Langevin vibrator, compound ultrasonic horn (CUH) and valve was designed, fabricated and tested. The Langevin vibrator and CUH are cylindrical structures with a through-hole, which serves as a flow channel and a chamber. The valve is made of titanium alloy and fabricated by femtosecond laser direct writing technology. It has two types of cross-sectional shapes: bridge type (Valve-1) and double-bridge type (Valve-2). A model diagram of the pumping principle of the VPUP illustrates that the pumping principle is divided into two processes: stepping and dripping. Liquid shear and surface tension play important roles in liquid transport. In this study, the dripping process of liquid was filmed. Two VPUP prototypes respectively equipped with Valve-1 (VPUP-1) and Valve-2 (VPUP-2) were fabricated. Experimental results showed that the flow rate of VPUP-2 was about 125% of that of VPUP-1, which verified the correctness of the Valve-2 for more favourable stepping and dripping processes. VPUP-2 produced a maximum flow rate of 5.562 ml min−1 under sinusoidal excitation at 440 Vpp and 35.783 kHz.
The quadratic convective flow of Williamson nanofluid with multiple diffusions
Authors: Patil P M , Benawadi Sunil
Published: May 2022

The present work will characterize the heat and mass transport phenomena in the nonlinear combined convective Williamson nanoliquid flow along with the moving plate in a continuously moving parallel free stream. The nonlinear thermal radiation and diffusions of chemical species such as liquid Nitrogen and liquid Ammonia are also considered in this analysis. The physical problem is modelled mathematically as a set of nonlinear coupled partial differential equations with suitable boundary conditions. The governing equations are expressed in the dimensionless form by utilizing non-similar transformations. Further, we employ the Quasilinearization technique and implicit finite difference scheme for numerical computation. The results are discussed with the aid of graphs and tables. The drag coefficient, rates of heat and mass transports are pronounced more for higher values of nonlinear convection, while reverse behaviour can be observed for the Williamson parameter. Moreover, the mass transfer rate for liquid Ammonia is approximately 22% more than that of liquid Nitrogen. So obtained numerical results in this analysis are compared with previously published works and achieved an excellent agreement.
Correlations of Stokes parameters under parametric scattering in a lossy crystal and ghost imaging based on them
Authors: Chirkin Anatoly S , Singh Ranjit
Published: May 2022

A quantum theory of parametric scattering is developed for the generation of bright light in an optically nonlinear crystal with lossy. The mean values and variances of the Stokes parameters of the scattered field, as well as their mutual correlations have been calculated. For this purpose we have used the method of separation of correlated and uncorrelated parts in the Bose operators with crystal fluctuations associated with lossy. The results obtained are used to implement ghost imaging of scattering object, the properties of which are described by the Mueller matrix; the features of the scheme under consideration is discussed.
Spherical quantum dot in modified Kratzer–Coulomb potential: study of optical rectification coefficients
Authors: Li Xuechao , Chang Ceng , Ma Yongrui
Published: May 2022

We consider the effects of quantum dot radius, confinement potential depth and controllable effective mass on the optical rectification coefficient (ORC) in spherical quantum dots, which is confined with Modified Kratzer–Coulomb Potential (MKCP). Using the Nikiforov–Uvarov method and compact density matrix theory, the ground state energy, ORC and wave function of electrons under the combined action of many factors are calculated. The results show that they affect the optical rectification response from different angles, including the position of peak and formant.
Measurements of absolute, SI-traceable lunar irradiance with the airborne lunar spectral irradiance (air-LUSI) instrument
Authors: Woodward J T , Turpie K R , Stone T C , Gadsden S A , Newton A , Maxwell S E , Grantham S E , Larason T C , Brown S W
Published: May 2022

The airborne lunar spectral irradiance (air-LUSI) instrument is designed to make low uncertainty measurements of the lunar spectral irradiance from an ER-2 aircraft from altitudes above 95% of the atmosphere. Measurements cover the visible and near infrared spectral region (350 nm to 1050 nm) and are traceable to the international system of units. Five demonstration flights were conducted in November 2019 at NASA’s Armstrong Flight Research Center. During that campaign, air-LUSI measured the spectral irradiance at lunar phase angles ranging from 10° to 60°. This work provides an overview of the air-LUSI instrument, the lunar irradiance measurements made during demonstration flights, a description of our calibration approach, and summary of the uncertainty budget. Based on the flight results and laboratory measurements, we estimate the instrument is capable of measuring lunar irradiance, propagated to the top-of-the atmosphere, with combined standard uncertainty of 1% (k = 1) or less over the spectral region from 450 nm to 980 nm. An examination of the uncertainty budget leads to a path forward toward potentially achieving uncertainties of 0.6% in lunar irradiance over much of the spectral range for future flights.
Optimal regularizations for data generation with probabilistic graphical models
Authors: Fanthomme A , Rizzato F , Cocco S , Monasson R
Published: May 2022

Understanding the role of regularization is a central question in statistical inference. Empirically, well-chosen regularization schemes often dramatically improve the quality of the inferred models by avoiding overfitting of the training data. We consider here the particular case of L
2 regularization in the maximum a posteriori (MAP) inference of generative pairwise graphical models. Based on analytical calculations on Gaussian multivariate distributions and numerical experiments on Gaussian and Potts models we study the likelihoods of the training, test, and ‘generated data’ (with the inferred models) sets as functions of the regularization strengths. We show in particular that, at its maximum, the test likelihood and the ‘generated’ likelihood, which quantifies the quality of the generated samples, have remarkably close values. The optimal value for the regularization strength is found to be approximately equal to the inverse sum of the squared couplings incoming on sites on the underlying network of interactions. Our results seem to be robust against changes in the structure of the ground-truth underlying interactions that generated the data, when small fluctuations of the posterior distribution around the MAP estimator are taken into account, and when L
1 regularization is considered (instead of L
2). Connections with empirical works on protein models learned from homologous sequences are discussed.
Research on Emergency Cooperative Scheduling Model and Algorithm
Authors: Zhang Chao , Tang Zheng-e
Published: May 2022

In view of the sudden increase of the demand of emergency supplies in the downstream of the emergency supply chain which is caused by the impact of emergencies, the paper proposes a coordinated emergency scheduling method because it is impossible to simply rely on the capacity of emergency supplies in the upstream of the supply chain. In this paper, we analysed the structure of the emergency collaborative supply chain system, and the nonlinear model of multi-region collaborative emergency dispatching is established is the paper. Finally, the corresponding genetic algorithm is designed to solve the key collaborative problem.
Experimental research on WEDM of copper tungsten alloy based on orthogonal test
Authors: Li Wenming , Li Zhen
Published: May 2022

WEDM is an important process method for machining copper tungsten alloy electrode. Using orthogonal experiment, range analysis and variance analysis, the influence of pulse width, peak current and servo voltage on the material removal rate in WEDM of copper tungsten alloy was studied. The parameter combination was optimized under the maximum material removal rate. The results show that after the duty cycle is set, the degree of influence on material removal rate is as follows: peak current, servo voltage and pulse width. Ton 50μs, IP 12A and SV 8V, the maximum material removal rate is 25.28 mm2/min, which has an important theoretical guidance for the realization of rapid and efficient WEDM processing of copper tungsten alloy electrode.
Focus on reactive nitrogen and the UN sustainable development goals
Authors: Winiwarter Wilfried , Amon Barbara , Bodirsky Benjamin Leon , Friege Henning , Geupel Markus , Lassaletta Luis , Raghuram Nandula
Published: May 2022

The scientific evidence assembled in this Focus Collection on ‘Reactive nitrogen and the UN sustainable development goals’ emphasizes the relevance of agriculture as a key sector for nitrogen application as well as its release to the environment and the observed impacts. Published work proves the multiple connections and their causality, and presents pathways to mitigate negative effects while maintaining the benefits, foremost the production of food to sustain humanity. Providing intersections from field to laboratory studies and to modelling approaches, across multiple scales and for all continents, the Collection displays an overview of the state of nitrogen science in the early 21st century. Extending science to allow for policy-relevant messages renders the evidence provided a valuable basis for a global assessment of reactive nitrogen.
How to map soil sealing, land take and impervious surfaces? A systematic review
Authors: Peroni Francesca , Pappalardo Salvatore Eugenio , Facchinelli Francesco , Crescini Edoardo , Munafò Michele , Hodgson Michael E , De Marchi Massimo
Published: May 2022

Soil degradation is one of the main environmental issues within the international agendas on sustainability and climate adaptation. Among degradation processes, soil sealing represents the major threat, as ecosystem services dramatically decrease or are even nullified. The increasing use of big open data from satellites combined with AI algorithms are making geodata mining and mapping techniques essential to quantify soil sealing. Different keywords are adopted to define the phenomenon. However, at present, review articles presenting the state-of-the-art on mapping soil sealing by including the most common definitions are currently not available. Hence, we analyzed: (a) impervious surface, (b) soil sealing, (c) land take, (d) soil consumption, (e) land consumption. We provide a systematic review of remote sensing platforms and methodologies to map and to classify soil sealing, by highlighting: (a) definitions; (b) relationships among study areas, scales, platforms, resolutions, and classification methodologies; (c) emerging trends and policy implications. We performed a systematic search on Scopus (from 2000 to 2020), identifying 1277 papers; 392 focused on mapping soil sealing. ‘Impervious surface’ is the dominant definition. The phenomenon is more studied by the USA, China and Italy and, ‘soil sealing’ is recently more adopted in EU. Most studies focuses on mapping soil sealing at urban scale. We found Landsat are the most adopted platforms; they are frequently used for multi-temporal analyses. Eleven methodologies were identified: automatic classifications are the most adopted, dominated by pixel/sub-pixel-based approaches; other methods include Band Ratios, Supervised, OBIA, ANN. The majority of mapping analyses are performed on 30 m resolution in areas of 1000–10 000 km2. Landsat images are less used for smaller areas. In conclusion, as study area size increases, a decrease in image resolution with the use of more completely automatic classification methodologies is recorded. However, most studies focuses on comparing classification techniques rather than supporting policy making for sustainable urban planning. Thus, we encourage to fill the gap by developing approaches that applicable to international policies.
Assessing the chance of unprecedented dry conditions over North Brazil during El Niño events
Authors: Kay G , Dunstone N J , Smith D M , Betts R A , Cunningham C , Scaife A A
Published: May 2022

The strongest El Niño events of the past four decades were associated with large rainfall deficits in North Brazil during the December to February mature phase, leading to substantial societal and ecological impacts and influencing the global carbon cycle. While the teleconnection between El Niño and northern South America is well studied, the small number of El Niño events—and especially high magnitude ‘major’ El Niños—in the recent observational record make a robust characterisation of the response over North Brazil in today’s climate difficult. Here we use a large, initialised ensemble of global climate simulations to provide a much greater sample of North Brazil rainfall responses to recent El Niño events than is available from observations, and use this to form an assessment of the chance of unprecedented dry conditions during El Niño. We find that record low rainfall totals are possible during El Niño events in the current climate, and that as the magnitude of El Niño increases, so too does the chance of unprecedented low rainfall, reaching close to 60% for major El Niños. However, during even the largest El Niños, when the observed North Brazil response has been similar and very dry, we find rainfall rates close to normal are still possible due to internal atmospheric variability. In addition to the predictable influence of the tropical Pacific, an unpredictable influence from the extratropics appears to play a role in modulating the North Brazil rainfall response via an equatorward wave-train that propagates down the western coast of North America and across to the Caribbean. Combining forecasts of El Niño with this improved information on the underlying chance of extremely low rainfall could feed into improved assessments of risk and preparedness for upcoming droughts in Brazil.
Development of low power non-thermal plasma jet and optimization of operational parameters for treating dyes and emerging contaminants
Authors: JOSHI Deepchandra , PRAKASH G Veda , AHAMMAD Shaikh Ziauddin , KAR Satyananda , SREEKRISHNAN T R
Published: May 2022

Non-thermal plasma has emerged as an effective treatment system against the latest class of highly recalcitrant and toxic environmental pollutants termed emerging contaminants (ECs). In the present work, a detailed experimental study is carried out to evaluate the efficacy of a non-thermal plasma jet with two dyes, Rd. B and Met. Blue, as model contaminants. The plasma jet provided a complete dye decoloration in 30 min with an applied voltage of 6.5 kVp−p. ·OH, having the highest oxidation potential, acts as the main reactive species, which with direct action on contaminants also acts indirectly by getting converted into H2O2 and O3. Further, the effect of critical operational parameters viz, sample pH, applied voltage (4.5‒6.5 kVp−p), conductivity (5‒20 mS cm−1), and sample distance on plasma treatment efficacy was also examined. Out of all the assessed parameters, the applied voltage and sample conductivity was found to be the most significant operating parameters. A high voltage and low conductivity favored the dye decoloration, while the pH effect was not that significant. To understand the influence of plasma discharge gas on treatment efficacy, all the experiments are conducted with argon and helium gases under the fixed geometrical configuration. Both the gases provided a similar dye decoloration efficiency. The DBD plasma system with complete dye removal also rendered maximum mineralization of 73% for Rd. B, and 60% for Met. Blue. Finally, the system’s efficiency against the actual ECs (four pharmaceutical compounds, viz, metformin, atenolol, acetaminophen, and ranitidine) and microbial contaminant (E. coli) was also tested. The system showed effectivity in the complete removal of targeted pharmaceuticals and a log2.5 E. coli reduction. The present systematic characterization of dye degradation could be of interest to large communities working towards commercializing plasma treatment systems.
Catalyst designing strategies for electrochemical CO2 reduction: a perspective
Authors: Sarkar Shreya , C Peter Sebastian
Published: May 2022

Electrochemical CO2 reduction (eCO2R) is one of the most promising and effective technologies to reduce CO2 into value-added chemicals and fuels, reducing the dependence on fossil fuels. However, the efficiency and selectivity of eCO2R is dependent on the interactions between the catalyst surface and the intermediates, which is majorly due to the inherent nature of the catalyst and other parameters like mass transport, electrolyte and intermediate coverage on the surface. There exists a parity between the existing experimental and theoretical catalyst design strategies. In this review we intend to discuss the rational design of catalysts based on transition metals to achieve highly efficient eCO2R. The strategies focused on here include the ligand effect, alloying, strain engineering, heterostructure formation, oxide derivation and the use of transition-metal chalcogenides, phosphides, nitrides and carbides. These strategies are effective in modulating the electronic structure, adsorption geometries and the local environment of the catalysts thus enhancing the eCO2R performance. In conclusion, the shortcomings and pivotal requirements in this field have been discussed in this perspective.
A methodology for evaluating the effects of climate change on climatic design conditions for buildings and application to a case study in Madison, Wisconsin
Authors: Gesangyangji  , Vimont Daniel J , Holloway Tracey , Lorenz David J
Published: May 2022

Climatic design conditions are widely used by the building community as environmental parameters informing the size and energy requirements for heating, ventilation and air conditioning systems, along with other building design characteristics. Climatic design conditions are calculated by the American Society of Heating, Refrigerating and Air-conditioning Engineers using historical climate data. Our work advances methods for projecting future climate design conditions based on data from global climate models. These models do not typically archive the hourly data required for climate design condition calculations, and they often exhibit large biases in extreme conditions, daily minimum temperatures and daily maximum temperatures needed for climatic design conditions. We present a method for rescaling historical hourly data under future climatic states to estimate the impact of climate change on future building climatic design conditions. This rescaling method is then used to calculate future climatic design conditions in Madison, Wisconsin, throughout the 21st century for two future greenhouse gas emissions scenarios. The results are consistent with a warming climate and show increases in heating, cooling, humidification and dehumidification design conditions, suggesting less extreme cold conditions and more extreme hot and humid conditions in Madison. The design conditions used for estimating energy demand, degree days, show that under a business-as-usual scenario, by the mid-century, building heating and cooling in Madison (climate zone 5A) will be similar to the current heating demand in Chicago, IL (climate zone 5A) and cooling demand in Baltimore, MD (climate zone 4A); by the late-century, building heating and cooling in Madison will resemble the current heating demand in St Louis, MO (climate zone 4A) and cooling demand in Augusta, GA (climate zone 3A). Given the rapid pace of climate change in the 21st century, our work suggests that historical design conditions may become obsolete during even the initial stages of a building’s expected life span. Changes in climatic design conditions in Madison highlight the importance of considering future climatic changes in building design to ensure that buildings built today meet the performance needs of the future.
ELSSI: parallel SNP–SNP interactions detection by ensemble multi-type detectors
Authors: Wang Xin , Cao Xia , Feng Yuantao , Guo Maozu , Yu Guoxian , Wang Jun
Published: May 2022

With the development of high-throughput genotyping technology, single nucleotide polymorphism (SNP)–SNP interactions (SSIs) detection has become an essential way for understanding disease susceptibility. Various methods have been proposed to detect SSIs. However, given the disease complexity and bias of individual SSI detectors, these single-detector-based methods are generally unscalable for real genome-wide data and with unfavorable results. We propose a novel ensemble learning-based approach (ELSSI) that can significantly reduce the bias of individual detectors and their computational load. ELSSI randomly divides SNPs into different subsets and evaluates them by multi-type detectors in parallel. Particularly, ELSSI introduces a four-stage pipeline (generate, score, switch and filter) to iteratively generate new SNP combination subsets from SNP subsets, score the combination subset by individual detectors, switch high-score combinations to other detectors for re-scoring, then filter out combinations with low scores. This pipeline makes ELSSI able to detect high-order SSIs from large genome-wide datasets. Experimental results on various simulated and real genome-wide datasets show the superior efficacy of ELSSI to state-of-the-art methods in detecting SSIs, especially for high-order ones. ELSSI is applicable with moderate PCs on the Internet and flexible to assemble new detectors. The code of ELSSI is available at https://www.sdu-idea.cn/codes.php?name=ELSSI.
Identification of pathogenic mutations from nonobstructive azoospermia patients
Authors: Jiang Hanwei , Zhang Yuanwei , Ma Hui , Fan Suixing , Zhang Huan , Shi Qinghua
Published: May 2022

It is estimated that approximately 25% of nonobstructive azoospermia (NOA) cases are caused by single genetic anomalies, including chromosomal aberrations and gene mutations. The identification of these mutations in NOA patients has always been a research hot spot in the area of human infertility. However, compared with more than 600 genes reported to be essential for fertility in mice, mutations in approximately 75 genes have been confirmed to be pathogenic in patients with male infertility, in which only 14 were identified from NOA patients. The small proportion suggested that there is much room to improve the methodology of mutation screening and functional verification. Fortunately, recent advances in whole exome sequencing and Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR)–Cas9 have greatly promoted research on the etiology of human infertility and made improvements possible. In this review, we have summarized the pathogenic mutations found in NOA patients and the efforts we have made to improve the efficiency of mutation screening from NOA patients and functional verification with the application of new technologies.
Functional evaluation of the cystic fibrosis transmembrane conductance regulator in the endocervix
Authors: Han Leo , Roberts Mackenzie , Luo Addie , Wei Shuhao , Slayden Ov D , Macdonald Kelvin D
Published: May 2022

The cystic fibrosis transmembrane conductance regulator (CFTR) is an apical membrane chloride/bicarbonate ion channel in epithelial cells. Mutations in CFTR cause cystic fibrosis, a disease characterized by thickened mucus secretions and is associated with subfertility and infertility. CFTR function has been well characterized in vitro and in vivo in airway and other epithelia studies. However, little is known about CFTR function in the cervix in health and its contribution to cyclic regulation of fertility from endocervical mucus changes. Contributing to this research gap is the lack of information on the effect of sex steroid hormones on CFTR expression in cervical epithelial cells across the menstrual cycle. Herein, we demonstrate the hormonal regulation of CFTR expression in endocervical cells both in vitro and in vivo, and that conditionally reprogrammed endocervical epithelial cells can be used to interrogate CFTR ion channel function. CFTR activity was demonstrated in vitro using electrophysiological methods and functionally inhibited by the CFTR-specific inhibitors inh-172 and GlyH-101. We also report that CFTR expression is increased by estradiol in the macaque cervix both in vitro and in vivo in Rhesus macaques treated with artificial menstrual cycles. Estrogen upregulation of CFTR is blocked in vivo by cotreatment with progesterone. Our findings provide the most comprehensive evidence to date that steroid hormones drive changes in CFTR expression. These data are integral to understanding the role of CFTR as a fertility regulator in the endocervix.
Multicriteria Decision Analysis for Updating of Quality Indicators for Inflammatory Bowel Disease Comprehensive Care Units in Spain
Authors: Calvet Xavier , Panés Julián , Gallardo-Escudero Javier , de la Cuadra-Grande Alberto , Bartolomé Elena , Marín Laura , de la Portilla Fernando , Navarro-Correal Ester , Gutiérrez Ana , Nos Pilar , Serrano Ruth , Casado Miguel Ángel , Barreiro-de Acosta Manuel ,   Consensus Group, Varela Pilar , Pérez-Calle José L´zaro , Rivero Montserrat , Rodríguez Cristina , Martín Javier , Esteve María , Domènech Eugeni , Pérez-Gisbert Javier , Chaparro María , Martín María Dolores , Merino-Ochoa Olga , García Santiago , Barrio Jesús , Navarro Merce , Amo Alejandro , Rebollal Montse , Soriano Pilar , Diego José , Zulliani Fernando , Muñoz Diana , Cano Noelia , Benito Salvadora , S´nchez Elena , Noci Jesús , López Ana , Parajó Alberto , Arroyo Antonio , Mediavilla Inmaculada , Satiña Manuel
Published: May 2022

Background and Aims

Management of inflammatory bowel disease [IBD] is complex and IBD Comprehensive Care Units [ICCUs] facilitate the delivery of quality care to IBD patients. The objective of this study was to update the existing set of quality indicators [QIs] for ICCUs, based on a nationwide quality certification programme carried out in Spain, from a multi-stakeholder perspective and using multicriteria decision analysis [MCDA] methodology.

Methods

An MCDA comprising three different phases was conducted. In phase 1, a systematic literature review was performed, and after validation by a scientific committee comprising 11 experts, a preliminary set of QIs was developed. In phase 2, a larger group of 49 experts determined the relevance and relative importance of each QI by prioritising and weighing the preliminary set. Finally in phase 3, the scientific committee reviewed the results and made a final selection via a deliberative process.

Results

The final set comprised 67 QIs, classified as Structure [23 QIs], Process [35 QIs] and Outcome [9 QIs], which were ranked according to their relative importance. Multidisciplinary management was the most important requirement in ICCUs, followed by continuity of care, standardisation of clinical care and, especially, the incorporation of patients’ reported outcomes.

Conclusions

This updated set of QIs comprises a weighted and prioritised set of items that represent the essential minimum of criteria for ensuring appropriate quality of care in the management of IBD patients.