bluuebunny/crossref_metadata_2025 huggingface dataset:
Topological phase transition in network spreading
Authors: Nian Fuzhong , Zhang Xia
Published: June 2022

This paper investigates information spreading from the perspective of topological phase transition. Firstly, a new hybrid network is constructed based on the small-world networks and scale-free networks. Secondly, the attention mechanism of online users in information spreading is studied from four aspects: social distance, individual influence, content richness, and individual activity, and a dynamic evolution model of connecting with spreading is designed. Eventually, numerical simulations are conducted in three types of networks to verify the validity of the proposed dynamic evolution model. The simulation results show that topological structure and node influence in different networks have undergone phase transition, which is consistent with the phenomenon that followers and individual influence in real social networks experience phase transition within a short period. The infection density of networks with the dynamic evolution rule changes faster and reaches higher values than that of networks without the dynamic evolution rule. Furthermore, the simulation results are compared with the real data, which shows that the infection density curve of the hybrid networks is closer to that of the real data than that of the small-world networks and scale-free networks, verifying the validity of the model proposed in this paper.
Effective dynamics and quantum state engineering by periodic kicks
Authors: Shi Zhi-Cheng , Chen Zhen , Wang Jian-Hui , Xia Yan , Yi X X
Published: June 2022

We study the kick dynamics of periodically driven quantum systems, and provide a time-independent effective Hamiltonian with the analytical form to reasonably describe the effective dynamics in a long timescale. It is shown that the effective coupling strength can be much larger than the coupling strength of the original system in some parameter regions, which stems from the zero time duration of kicks. Furthermore, different regimes can be transformed from and to each other in the same three-level system by only modulating the period of periodic kicks. In particular, the population of excited states can be selectively suppressed in periodic kicks, benefiting from the large detuning regime of the original system. Finally, some applications and physical implementation of periodic kicks are demonstrated in quantum systems. These unique features would make periodic kicks become a powerful tool for quantum state engineering.
Robust and intrinsic type-III nodal points in a diamond-like lattice
Authors: Cheng Qing-Ya , Xie Yue-E , Yan Xiao-Hong , Chen Yuan-Ping
Published: June 2022

An ideal type-III nodal point is generated by crossing a completely flat band and a dispersive band along a certain momentum direction. To date, the type-III nodal points found in two-dimensional (2D) materials have been mostly accidental and random rather than ideal cases, and no one mentions what kind of lattice can produce ideal nodal points. Here, we propose that ideal type-III nodal points can be obtained in a diamond-like lattice. The flat bands in the lattice originate from destructive interference of wavefunctions, and thus are intrinsic and robust. Moreover, the specific lattice can be realized in some 2D carbon networks, such as T-graphene and its derivatives. All the carbon structures possess type-III Dirac points. In two of the structures, consisting of triangular carbon rings, the type-III Dirac points are located just on the Fermi level and the Fermi surface is very clean. Our research not only opens a door to finding the ideal type-III Dirac points, but also provides 2D materials for exploring their physical properties experimentally.
Particle production at large p

T
in Xe+Xe collisions with jet quenching using the higher twist approach*
Authors: Zhang Qing , Dai Wei , Wang Lei , Zhang Ben-Wei , Wang Enke
Published: June 2022

The production of

, η, and ϕ in the most central (0%–5%) Xe+Xe collisions at

= 5.44 TeV is investigated in the framework of the perturbative QCD (pQCD) improved parton model at an accuracy of next-to-leading order (NLO). The jet quenching effect is effectively incorporated by medium-modified fragmentation functions via the higher-twist approach. Predictions of the nuclear modification factors of

, η, and ϕ as functions of the transverse momentum

are made with the jet transport parameter

, which is extracted from the available experimental data of charged hadrons provided by ALICE and CMS. The particle ratios

as functions of

in Xe+Xe collisions at

= 5.44 TeV as well as in 0%–5% Pb + Pb collisions at

= 5.02 TeV are also presented. The numerical simulations of the scaled ratios of charged hadron production in the Xe+Xe 5.44 TeV system over those in the Pb+Pb 5.02 TeV system give a good description of the CMS data, and the scaled ratios of

, η, and ϕ production coincide with the curve of charged hadron production.
Measuring gross beryllium erosion with visible cameras in JET
Authors: de la Cal E. , Losada U. , Balboa I. , Borodin D. , Borodkina I. , Brezinsek S. , Carvalho P. , Dittmar T. , Douai D. , Huber A. , Huber V. , Karhunen J. , Manzanares A. , Pawelec E. , Romazanov J. , Shaw A. , Silburn S. , Solano E.R. , JET Contributors
Published: June 2022

Two visible cameras with the same wide-angle view have been used to study the gross beryllium (Be) erosion in JET. An absolutely calibrated spectroscopy system employed in the past for the same object was used to quantitatively infer the camera photon fluxes and also to validate the results. To extract the effective sputtering yield, a simplified method is applied from the quotient of the measured radiances of the D
α
and the Be II line at 527 nm. The obtained results are in reasonably good agreement with those already published. The main benefit of using cameras is that the global view of the plasma–wall interaction surfaces of the whole vessel is monitored, and the different sources and their wetted areas can be identified and quantified. In addition, the measurement of the particle flux distributions can be used for the validation of three-dimensional erosion-transport codes.
Estimates of foil thickness, signal, noise, and nuclear heating of imaging bolometers for ITER
Authors: Peterson B.J. , Nishitani T. , Reichle R. , Munechika K. , O'Mullane M.G. , Mukai K.
Published: June 2022

Imaging bolometers have been studied for ITER to serve as a complementary diagnostic to the resistive bolometers for the measurement of radiated power. Two tangentially viewing InfraRed imaging Video Bolometers (IRVB) could be proposed for an ITER equatorial port, one having a view of the entire plasma cross-section (core viewing) and one tilted down 43 degrees from the horizontal to view the divertor (divertor viewing). The IRVBs have 7 cm (horizontal) by 9 cm (vertical) Pt sensor foils, 6 mm × 6 mm apertures, 15 × 20 pixels and focal lengths of 7.8 cm and 21 cm, respectively. Using SANCO and SOLPS models for a 840 m3 plasma radiating 67.3 MW, synthetic images from the IRVBs are calculated to estimate the maximum signal strengths to be 246 W/m2 and 62 W/m2, respectively. We propagate the X-ray energy spectra from the models through the synthetic diagnostics to give the photon energy spectrum for each IRVB pixel, which are used to calculate the fraction of the power absorbed by the foil as a function of foil thickness. Using a criteria of >95% absorbed power fraction, we selected foil thicknesses of 30 μm and 10 μm, respectively. We used these thicknesses and assumed IR systems having 105 fps, 1024×1280 pixels and sensitivities of 15 mK, to calculate the IRVB sensitivities of 3.19 W/m2 and 1.05 W/m2, and signal to noise ratios of 77 and 59, respectively. Using the Monte Carlo Nuclear Particle code we calculated for the core viewing IRVB the foil heating by neutrons to be 1.0 W/m2 and by gammas to be 117 W/m2. This indicates that countermeasures may be needed to remove the nuclear heating signal.
Observation of radiation damage in CdTe Schottky sensors created by 20 keV photons
Authors: Meyer M. , Andrä M. , Barten R. , Bergamaschi A. , Brückner M. , Busca P. , Carulla Areste M. , Chiriotti S. , Dinapoli R. , Fajardo P. , Fröjdh E. , Greiffenberg D. , Heymes J. , Hinger V. , Kozlowski P. , Lopez-Cuenca C. , Mezza D. , Mozzanica A. , Redford S. , Ruat M. , Ruder C. , Schmitt B. , Thattil D. , Tinti G. , Vetter S. , Zhang J.
Published: June 2022

The polarization characteristics of ohmic and (Al-)Schottky type CdTe sensors supplied by Acrorad have been characterized with the low noise, charge integrating readout chip JUNGFRAU, revealing defined areas in the Schottky type sensors, which were irradiated with 20 keV photons in previous experiments more than one year ago. These areas, which have absorbed doses of up to 1079 kGy, show a more robust charge collection compared to unirradiated areas. In contrast to this, no alteration of the polarization characteristics could be found in ohmic type CdTe sensors after irradiation. The polarization behavior of the sensors has been characterized in-situ over time and at different temperatures by using an homogeneous, low flux molybdenum fluorescence illumination. An increase of the leakage current in the irradiated areas was found and quantified as a function of absorbed dose as well as its influence on the stability on the number of photon counts. In addition to the influence of X-ray irradiation, the effect of thermal annealing on the polarization characteristics of Schottky type CdTe sensors has been studied. Possible routes for the usage of Schottky type CdTe sensors in synchrotron applications are outlined in this publication.
Urban and rural carbon footprints in developing countries
Authors: Connolly Mairéad , Shan Yuli , Bruckner Benedikt , Li Ruoqi , Hubacek Klaus
Published: June 2022

A good understanding of household carbon emissions is an important part of forming climate mitigation strategies to achieve the goals set out in the Paris Agreement. Numerous studies have been carried out on emissions from household consumption and the inequality between urban and rural areas in high-income developed countries, but there is a lack of in-depth analysis of such differences in developing countries. Our research details household carbon footprints (CFs) of four urban and four rural income categories for 90 developing countries, by linking global expenditure data to the environmentally extended multi-regional input–output approach. We show that there are large inequalities between urban and rural areas in developing countries. The average per capita CF in urban areas tends to be larger than that of rural inhabitants ranging from twice as large to nine times larger. We find that electricity consumption and transport are the largest contributors to the total CF in all expenditure groups. High-income rural households have an average per capita CF of 12.38 t CO2 which is 25% higher than the equivalent urban high-income group, which deviates from the literature looking at a subset of cases. Our study contributes to the existing research on CFs by providing knowledge on the consumption patterns and related carbon emissions of urban and rural populations in these understudied parts of the world.
Anisothermal chemical reactions: Onsager–Machlup and macroscopic fluctuation theory
Authors: Renger D R Michiel
Published: June 2022

We study a micro and macroscopic model for chemical reactions with feedback between reactions and temperature of the solute. The first result concerns the quasipotential as the large-deviation rate of the microscopic invariant measure. The second result is an application of modern Onsager–Machlup theory to the pathwise large deviations, in case the system is in detailed balance. The third result is an application of macroscopic fluctuation theory to the reaction flux large deviations, in case the system is in complex balance.
Environmental Conservation in Ciletuh Geopark, West Java
Authors: Zuvara R A , Herdiansyah H , Asteria D
Published: June 2022

The implementation of sustainability is a keys concept for many industries. The tourism industry is no exception. Geopark as a conservation area that pays attention to sustainability by utilizing tourism activities as the socio-economic development of the surrounding community still has obstacles in its implementation. The low level of public understanding about the importance of tourism development in the Geopark area is still an obstacle. By using qualitative descriptive analysis methods through literature studies, this study aims to analyze the condition of the community and the role of stakeholders in realizing sustainable tourism. The substantial actor of stakeholders is required as a forum for coordination and communication for the development of tourist areas. It is significant because it determines community participation in the management of Geopark tourism areas.
The Composition of Goat Milk Kefir Added with Moringa oleifera Leaf Powder
Authors: Endah S R N , Wulasari P D , Nofriyaldi A , Nurliyani  , Harmayani E
Published: June 2022

Goat milk kefir has gained popularity as a functional food. Incorporating natural ingredients with functional properties into kefir making could increase the functional properties in the kefir product. Moringa oleifera leaf has been extensively used for traditional medicine due to its multifunctional properties. This study aimed to investigate the chemical properties of goat milk kefir added with moringa leaf powder. The study was conducted in a Completely Randomized Design, using five treatments and five replicates (three replicates for each treatment). The additional levels of moringa leaf powder were 0, 0.5, 1.0, 1.5, and 2.0 % w/w. The result showed that moringa leaf powder added to kefir making has significantly (P<0.05) increased acidity and decreased pH; however, the proximate analysis did not show a significant effect (P>0.05). Incorporating 2% moringa leaf powder could increase acidity by 58.61% and decrease pH by 8.53% compared to control. This study found that 2% moringa leaf added to the kefir making produced that the highest acidity (1.115%) and the lowest pH (5.07). The average compositions of total solids, fat, protein, ash, and carbohydrate in this study were 18,17%, 4.939%, 7.22%, 0.988%, and 5.019%, respectively.
Implementation of the developed models and algorithms in problems of control of the process of culturing of chlorella
Authors: Rakhmanov Sh R , Turaev K N
Published: June 2022

The article considers the implementation of mathematical models and algorithms for hanging the efficiency of managing the chlorella cultivation process on the basis of the modeling algorithm of state parameters. One of the necessary conditions for the optimal conduct of the process of cultivating microorganisms is automatic control of the quality and composition of nutrients at the inlet, as well as control of the output indicators of the process. Based on the results of theoretical and experimental studies performed using modern methods and tools, as well as the positive results of industrial tests, it is possible to increase the efficiency of controlling the chlorella cultivation process on the basis of a modeling algorithm for state parameters.
Features of the technology of anaerobic processing of biotails using humidity control devices
Authors: Kalandarov P I , Abdullayev Kh Kh
Published: June 2022

The article discusses the technical foundations and practical methods of processing organic waste in a biogas plant, as a result of which biogas is obtained, the effect of biomass moisture on the output of biogas is studied. The principles of quality management of natural and man-made energy resources are outlined, in order to increase the efficiency of the technology of anaerobic processing of biogas production, considering the concentration of methane, due to continuous and remote measurement of the effect of humidity of the base raw materials at the output from biogas. The article analyzes the method and recommends the use of devices for monitoring and regulating biomass moisture indicators.
The influence of agroforestry on Chernozems: a case study of the Central Russian Upland
Authors: Zazdravnykh E , Chendev Yu , Smirnova M
Published: June 2022

Agroforestry is an essential tool for improving soil fertility and sustainable land use. We aimed to reveal the role of the old-growth shelterbelt in changing the basic Chernozem properties under the shelterbelt and at 10, 30, and 60 m distance from its edges (the south of the Central Russian Upland, Belgorod region). Our database includes organic carbon content, storage, and group composition, total nitrogen, exchangeable magnesium and calcium, the soil - water extract composition, and pH from different soil layers up to 3m. We detected the increase in humus horizon thickness, soil organic carbon content and storage, total nitrogen, exchangeable magnesium, acidification, and lowering the effervescence line in shelterbelt soil in comparison to arable ones. Agroforestry leads to the soil transformation - the shelterbelt soils differ from arable at subtype taxonomic level, and the influence of shelterbelts on adjacent arable soils can be traced up to 60 meters distant.
Fertility dynamics of the forest-steppe zone’s arable soils in the central chernozem region (on the example of the Prokhorovsky district of the Belgorod region)
Authors: Surinov A V
Published: June 2022

The work is based on the results of a continuous arable soils' agrochemical survey of the Prokhorovsky district of the Belgorod region conducted by the center of the agrochemical service "Belgorod" from 2012 to 2020. During this time, 3 research cycles were performed. The study period was divided into 2 parts: from 2012 to 2016 and from 2017 to 2020. In the course of the study, it was found that chemical reclamation techniques allowed to reduce the area of acidic soils by 25.15%, including medium and strongly acidic by 21.84%; the weighted average value of hydrolytic acidity decreased by 0.70 mmol /100 g of soil. The complex of chemical and agrotechnical measures contributed to the accumulation of soil organic matter by 0.52%, alkaline hydrolyzable nitrogen - by 29 mgN/kg, mobile forms of potassium - by 16, sulfur - by 3.2, manganese - by 3.08, copper - by 0.002 mg/kg, as well as an increase in the yield of winter wheat by 27.0%, spring barley - by 26.2%, soy - by 16.8%, grain sunflower - by 14.8%, grain maize - by 6.2%.
The structure of aesthetic and consumer parameters of the environment of settlements by the case of the Belgorod agglomeration, the European part of Russia
Authors: Lopina E
Published: June 2022

The issues of studying the structure of aesthetic and consumer parameters of the environment of settlements located within the boundaries of the emerging and dynamically developing Belgorod agglomeration in the southwestern part of the country are discussed. The specific characteristics of the studied settlements and the reasons for differences in environmental assessments are determined, depending on the geographical location, including the distance from the core of the agglomeration (the city of Belgorod), and the rate of change of integral social, economic and geo-ecological processes and conditions, which is reflected in the selected clusters. The implementation of the principles and methodology for evaluating the aesthetic and consumer parameters of the environment developed by the author made it possible to calculate the coefficients of representation of the particular elements of the environment and the total coefficients for three spatiotemporal forms. The prospectiveness and the necessity of application of the research results in the development of management mechanisms for modern urban ecosystems are shown, aimed at providing and creating favorable living conditions, in accordance with the complex of ecological and aesthetic demands of the population.
The grain sub-complex of the region: trends and development prospects when growing competition
Authors: Gusev A Yu , Koshkina I G
Published: June 2022

The agro-industrial complex of Russia is developing in difficult socio-economic, political conditions; however, the grain sub-complex demonstrates the sustainable nature of its development, confirming this with an increase in production volumes. The key role in this has been played by the introduced organizational, economic, managerial, and structural changes that adapt the industry to work in new economic conditions and risks. As a result, Russia is a leading player in the global food market. In the agricultural sector of the economy, there are intensive and extensive factors of present and future development. The reorientation of production towards the priority of intensive factors is possible, based on such key areas as technical and technological renewal, modernization, digital transformation of the industry, which will provide it with significant competitive advantages in the face of high global risks. The current trends in the world market, aimed at increasing demand for grain, also cause a change in the structure of production in regions. Changes in the structure of production entail changes in production volumes. Extensive factors of growth in the scale of grain production can be used to a very limited extent, without prejudice to the economy and the regional market for agricultural products. The priority direction for further development of grain production in the region should include intensive production methods. In this case, the structure of agricultural land and sown areas does not undergo significant transformation and global structural changes, and the increase in production volumes is achieved due to the complex of applied intensive methods of agricultural production.
The effect of various additives on milk productivity
Authors: Trebukhov Alexey , Shaganova Elena , Momot Nadezhda , Kolina Julia , Terebova Svetlana
Published: June 2022

Currently, the increase in milk productivity is achieved by using traditional feeds and balancing additives in the diets of cows. The research was carried out in the Altai Krai in the APC "Kirov's Collective Stud Farm" on steppe red breed cows. The purpose of the work was to determine the effect of mineral and vitamin additives on milk productivity; for this purpose, 3 groups of animals were formed. The first group served as the control and received a standard farm ration (SFR), 2nd experimental – SFR and an additive containing vitamins and minerals (VMA) in the amount of 100 g/head per day, 3rd experimental – SFR and an additive containing proteins, vitamins and minerals (PVMA) in the amount of 500 g/head per day. In the course of the research, it was found that providing the SFR with additional PVMA allowed to increase the level of milk yield by 9.3% and by 12.6% in the 3rd experimental group relative to the 2nd and 1st experimental groups. The inclusion of feed additives to the diet had a significant impact on the chemical composition of milk. In the cows of the 3rd experimental group, the maximum butter-fat yielding capacity (4.65%) was noted; it exceeded the values of the 2nd experimental and 1st control groups by an average of 0.10-0.12%. The level of protein and casein in milk was higher in the experimental groups. The highest protein content was observed in the 3-experimental group - 3.28%. The analysis of casein amount indicates that the animals of the 3rd experimental group receiving PVMA reached an indicator value of 2.71%, which was 0.11-0.13% higher than in the 2nd experimental and 1st control groups. Thus, it can be concluded that the use of PVMA in cows' feeding diets provided an increase in milk productivity and improved milk properties.
The effect of biofertilizers on cotton productivity and quality
Authors: Tagaev A M , Daurenbek N M , Bastaubaeva Sh O
Published: June 2022

Currently, in the agriculture of the Turkestan region, all agricultural products are obtained as a result of the use and introduction of chemicals and pesticides. Nevertheless, all these chemicals have done more harm than profit, they primarily pollute the soil and the environment with biogenic elements. In recent years, optimal norms of organic and biological fertilizers have not been applied in irrigated lands, based on this, dehumification is progressing in gray-earth soils and leads to soil salinization. In this regard, the question of restoring soil processes arises, and, above all, organic fertility, ensuring an increase in organic matter reserves in the soil and obtaining environmentally friendly cotton products using only organic and biological meliorants. Therefore, scientists-cotton breeders, in conditions of medium-saline gray-earth irrigated soils, conducted scientific research on intensive methods of organic farming technology on cotton plantations in the south of Kazakhstan.
Research and Application of Bottom Water Control and Suppression Technology by CO2 Huff-and-Puff
Authors: Huang Tao , Shao Yanfeng , Liu Qingyu , Li Li , Li Xuewei
Published: June 2022

In order to solve the problems about rapid increasement rate of water cut and large production decline in bottom water heavy oil reservoir due to active bottom water and high crude oil viscosity, the research on CO2 huff-and-puff technology is carried out. The results showed that the mechanism of CO2 huff-and-puff was mainly to reduce the viscosity of heavy crude oil, carbonate reacted with bottom water and formed interlayer to achieve viscosity reduction and precipitation. The comprehensive water cut was decreased by 35%, and the average oil production of a single well was increased by 3∼4 times. Therefore, CO2 huff-and-puff technology was one of technologies about bottom water control and oil production stabilization, and it is of great significance to enhance oil production in heavy oil bottom water reservoirs.
Strain induced lifting of the charged exciton degeneracy in monolayer MoS2 on a GaAs nanomembrane
Authors: Jasiński Jakub , Balgarkashi Akshay , Piazza Valerio , Dede Didem , Surrente Alessandro , Baranowski Michał , Maude Duncan K , Banerjee Mitali , Frisenda Riccardo , Castellanos-Gomez Andres , Fontcuberta i Morral Anna , Plochocka Paulina
Published: June 2022

Strain is a commonly used tool to tune the optoelectronic properties of semiconductors. It is especially effective for transition metal dichalcogenides (TMDs), which can withstand extreme strain up to 10%. To date, localised strain fields have been applied by transferring TMDs flakes onto a patterned SiO2 substrate. Here, we present a novel approach, where the strain in MoS2 monolayer is induced by an array of homoepitaxially grown GaAs nanomembranes. This represents a first step towards the integration of TMD monolayers with III–V semiconductor nanostructures, which is essential to develop scalable nanophotonic platforms. The strain imposed by the nanomembrane lifts the degeneracy of the exciton states, leading to linearly polarised emission. The principal axis of the linear polarisation of the emission is strictly determined by the orientation of the nanomembranes. This result is fully consistent with the expected broken crystal symmetry resulting from the imposed uniaxial strain.
Synthesis and characterization of stimuli-responsive hydrogels: evaluation of external stimuli influence on L929 fibroblast viability
Authors: Karasu Tunca , Erkoc-Biradli Fatma Zehra , Öztürk-Öncel M. Özgen , Armutcu Canan , Uzun Lokman , Garipcan Bora , Çorman Mehmet Emin
Published: June 2022

In this study, poly(2-hydroxyethyl methacrylate) [p(HEMA)] based hydrogels responsive to the pH, temperature and magnetic field were synthesized. The surface properties of p(HEMA) were improved by designing the stimuli-responsive hydrogels made of MAGA, NIPAAm and methacrylate-decorated magnetite nanoparticles as a function of pH-, thermo- and magnetic responsive cell culture surfaces. These materials were then modified an abundant extracellular matrix component, type I collagen, which has been considered as a biorecognition element to increase the applicability of hydrogels to cell viability. Based on results from scanning electron microscopy (SEM) and thermal gravimetric analysis (TGA), stimuli-responsive hydrogel demonstrated improved non-porous structures and thermal stability with a high degree of cross-linking. Mechanical analyses of the hydrogels also showed that stimuli-responsive hydrogels are more elastomeric due to the polymeric chains and heterogeneous amorphous segments compared to plain hydrogels. Furthermore, surface modification of hydrogels with collagen provided better biocompatibility, which was confirmed with L929 fibroblast cell adhesion. Produced stimuli-responsive hydrogels modulated cellular viability by changing pH and magnetic field.
40 km fiber transmission of squeezed light measured with a real local oscillator
Authors: Suleiman I , Nielsen J A H , Guo X , Jain N , Neergaard-Nielsen J , Gehring T , Andersen U L
Published: June 2022

We demonstrate the generation, 40 km fiber transmission, and homodyne detection of single-mode squeezed states of light at 1550 nm using real-time phase control of a locally generated local oscillator (LO), often called a ‘real LO’ or ‘local LO’. The system was able to stably measure up to around 3.7 dB of noise suppression with a phase noise uncertainty of around 2.5°, using only standard telecom-compatible components and a field-programmable gate array. The compactness, low degree of complexity and efficacy of the implemented scheme makes it a relevant candidate for long distance quantum communication in future photonic quantum networks.
Two routes to hydrogen evolution for a Co-polypyridyl complex with two open sites
Authors: Xue Toro Liqin , Kiriakidi Sofia , Thapper Anders , Ott Sascha , Lundberg Marcus
Published: June 2022

Cobalt polypyridyl complexes efficiently catalyze hydrogen evolution in aqueous media and exhibit high stability under reducing conditions. Their stability and activity can be tuned through electronic and steric considerations, but the rationalization of these effects requires detailed mechanistic understanding. As an example, tetradentate ligands with two non-permanently occupied coordination sites show higher activity with these sites in cis compared to trans configuration. Here reaction mechanisms of the Co-polypyridyl complex [CoII(bpma)Cl2] (bpma = bipyridinylmethyl-pyridinylmethyl-methyl-amine) have been studied using hybrid density-functional theory. This complex has two exchangeable cis sites, and provides a flexible ligand environment with both pyridyl and amine coordination. Two main pathways with low barriers are found. One pathway, which includes both open sites, is hydrogen evolution from a CoII-H intermediate with a water ligand as the proton donor. In the second pathway H–H bond formation occurs between the hydride and the protonated bpma ligand, with one open site acting as a spectator. The two pathways have similar barriers at higher pH, while the latter becomes more dominant at lower pH. The calculations consider a large number of interconnected variables; protonation sites, isomers, spin multiplicities, and the identities of the open binding sites, as well as their combinations, thus exploring many simultaneous dimensions within each pathway. The results highlight the effects of having two open cis-coordination sites and how their relative binding affinities change during the reaction pathway. They also illustrate why CoII-H intermediates are more active than CoIII-H ones, and why pyridyl protonation gives lower reaction barriers than amine protonation.
Trajectories of Compliance With COVID-19 Related Guidelines: Longitudinal Analyses of 50,000 UK Adults
Authors: Wright Liam , Steptoe Andrew , Fancourt Daisy
Published: June 2022

Background

Governments have implemented a range of measures focused on changing citizens’ behaviors to lower the transmission of COVID-19. While international data shows that compliance did decline from the start of the pandemic, average trends could mask considerable heterogeneity in compliance behaviors.

Purpose

To explore trajectories of compliance with COVID-19 guidelines.

Methods

We used longitudinal data on self-reported compliance from 50,851 adults in the COVID-19 Social Study collected across two waves of the pandemic in the UK (April 01, 2020–February 22, 2021). We modeled typical compliance trajectories using latent class growth analysis (LCGA) and used multinomial logistic regression to examine whether individual personality and demographic characteristics were related to compliance trajectories.

Results

We selected a four-class LCGA solution. Most individuals maintained high levels of compliance and reported similar levels of compliance across the first and second waves. Approximately 15% of participants had decreasing levels of compliance across the pandemic, reporting noticeably lower levels of compliance in the second wave. Individuals with declining compliance levels were younger on average, in better physical health, had lower empathy and conscientiousness and greater general willingness to take risks.

Conclusions

While a minority, not all individuals have maintained high compliance across the pandemic. Decreasing compliance is related to several psychological traits. The results suggest that targeting of behavior change messages later in the pandemic may be needed to increase compliance.
Fall prevention in older people: past, present and future
Authors: Close Jacqueline C T , Lord Stephen R
Published: June 2022

Over the past 50 years we have transitioned from accepting falls as an inevitable consequence of ageing to something that can and should be prevented. Numerous studies have elucidated the contributors to falls and how to assess a person’s risk of falling. There are many effective approaches to preventing falls in older people including those with cognitive and physical impairments. Exercise is the most tried and tested approach with good evidence that moderate to high intensity balance training is an effective fall prevention strategy. Other successful single modality interventions include enhanced podiatry, home safety interventions, expedited cataract extraction, cardiac pacing for people with carotid sinus hypersensitivity and vitamin D supplementation in people living in care homes. Multiple interventions (everyone receives the same intervention package) and multifactorial interventions (interventions tailored to identified risk factors) are effective particularly in high-risk populations. In more recent years we have seen the emergence of new technologies such as devices and software programs that can offer low-cost interventions which may be more sustainable than our traditional time- and resource-limited approach to prevention. There is still more to be done and a translational focus is needed to ensure that effective interventions are scaled up and delivered to more people while at the same time maximising adherence and maintaining the fidelity of the interventions.
ConSIG: consistent discovery of molecular signature from OMIC data
Authors: Li Fengcheng , Yin Jiayi , Lu Mingkun , Yang Qingxia , Zeng Zhenyu , Zhang Bing , Li Zhaorong , Qiu Yunqing , Dai Haibin , Chen Yuzong , Zhu Feng
Published: June 2022

The discovery of proper molecular signature from OMIC data is indispensable for determining biological state, physiological condition, disease etiology, and therapeutic response. However, the identified signature is reported to be highly inconsistent, and there is little overlap among the signatures identified from different biological datasets. Such inconsistency raises doubts about the reliability of reported signatures and significantly hampers its biological and clinical applications. Herein, an online tool, ConSIG, was constructed to realize consistent discovery of gene/protein signature from any uploaded transcriptomic/proteomic data. This tool is unique in a) integrating a novel strategy capable of significantly enhancing the consistency of signature discovery, b) determining the optimal signature by collective assessment, and c) confirming the biological relevance by enriching the disease/gene ontology. With the increasingly accumulated concerns about signature consistency and biological relevance, this online tool is expected to be used as an essential complement to other existing tools for OMIC-based signature discovery. ConSIG is freely accessible to all users without login requirement at https://idrblab.org/consig/
TIMSCONVERT: a workflow to convert trapped ion mobility data to open data formats
Authors: Luu Gordon T , Freitas Michael A , Lizama-Chamu Itzel , McCaughey Catherine S , Sanchez Laura M , Wang Mingxun
Published: June 2022

Motivation

Advances in mass spectrometry have led to the development of mass spectrometers with ion mobility spectrometry capabilities and dual-source instrumentation; however, the current software ecosystem lacks interoperability with downstream data analysis using open-source software and pipelines.

Results

Here, we present TIMSCONVERT, a data conversion high-throughput workflow from timsTOF Pro/fleX mass spectrometer raw data files to mzML and imzML formats that incorporates ion mobility data while maintaining compatibility with data analysis tools. We showcase several examples using data acquired across different experiments and acquisition modalities on the timsTOF fleX MS.

Availability and implementation

TIMSCONVERT and its documentation can be found at https://github.com/gtluu/timsconvert and is available as a standalone command-line interface tool for Windows and Linux, NextFlow workflow and online in the Global Natural Products Social (GNPS) platform.

Supplementary information

Supplementary data are available at Bioinformatics online.
Vfold-Pipeline: a web server for RNA 3D structure prediction from sequences
Authors: Li Jun , Zhang Sicheng , Zhang Dong , Chen Shi-Jie
Published: June 2022

RNA 3D structures are critical for understanding their functions and for RNA-targeted drug design. However, experimental determination of RNA 3D structures is laborious and technically challenging, leading to the huge gap between the number of sequences and the availability of RNA structures. Therefore, the computer-aided structure prediction of RNA 3D structures from sequences becomes a highly desirable solution to this problem. Here, we present a pipeline server for RNA 3D structure prediction from sequences that integrates the Vfold2D, Vfold3D and VfoldLA programs. The Vfold2D program can incorporate the SHAPE experimental data in 2D structure prediction. The pipeline can also automatically extract 2D structural constraints from the Rfam database. Furthermore, with a significantly expanded 3D template database for various motifs, this Vfold-Pipeline server can efficiently return accurate 3D structure predictions or reliable initial 3D structures for further refinement.

Availability and implementation

http://rna.physics.missouri.edu/vfoldPipeline/index.html. The data underlying this article have been provided in the article and in its online supplementary material.

Supplementary information

Supplementary data are available at Bioinformatics online.
Modelling and analysis of an 80-MW parabolic trough concentrated solar power plant in Sudan
Authors: Bashir Abdallah Adil Awad , Özbey Mustafa
Published: June 2022

Concentrated solar power plants can play a significant role in alleviating Sudan’s energy crisis. These plants can be established and implemented in Sudan, as their potential is considerably high due to the climate conditions in Sudan. This study investigates the design of a parabolic trough concentrated solar power plant in Sudan and analyzes its technical and economic feasibility. The simulation of the plant’s model used System Advisor Model (SAM) software. To determine the best location for the construction of the plant, data from 15 cities in Sudan were compared with each other based on their solar radiation and land properties. Wadi Halfa, a city in the northern region of Sudan, was chosen as the location due to its good topographical properties and climate conditions. The results show that the proposed plant can generate 281.145 GWh of electricity annually with a capacity factor of 40.1% and an overall efficiency of 15%. Additionally, a simple cost analysis of the plant indicates a levelized cost of electricity of 0.155 $/kWh. As the study results are consistent with the characteristics of similar plants, the proposed plant is considered technically and economically feasible under the conditions at its location.
Perinatally Human Immunodeficiency Virus–Infected Adolescents and Young Adults Demonstrate Distinct BNT162b2 Messenger RNA Coronavirus Disease 2019 Vaccine Immunogenicity
Authors: Morrocchi Elena , Pighi Chiara , Pascucci Giuseppe Rubens , Cotugno Nicola , Medri Chiara , Amodio Donato , Colagrossi Luna , Ruggiero Alessandra , Manno Emma Concetta , Casamento Tumeo Chiara , Bernardi Stefania , Smolen Kinga K , Perno Carlo Federico , Ozonoff Al , Rossi Paolo , Levy Ofer , Palma Paolo
Published: June 2022

Background

Immunization of vulnerable populations with distinct immunity often results in suboptimal immunogenicity, durability, and efficacy.

Methods

Safety and immunogenicity profiles of BNT162b2 messenger RNA coronavirus disease 2019 (COVID-19) vaccine, among people living with human immunodeficiency virus (HIV), were evaluated in 28 perinatally HIV-infected patients under antiretroviral therapy (ART) and 65 healthy controls (HCs) with no previous history of COVID-19. Thus, we measured severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)–specific humoral and CD4+ T cell responses. Samples were collected before vaccination (baseline, day [D] 0), at the second dose (D21), and at 4 weeks (D28) and 6 months (D180) after D0. Proteomic profiles at D0 and D28 were assessed with a multiplexed proximity extension assay (Olink) on plasma samples.

Results

All HIV-infected patients mounted similar anti–SARS-CoV-2 humoral responses to those of HCs, albeit with lower titers of anti-trimeric S at D28 (P = .01). Only peripheral blood mononuclear cells of HIV-infected patients demonstrated at D28 an impaired ability to expand their specific (CD40L+) CD4+ T-cell populations. Similar humoral titers were maintained between the 2 groups at 6-months follow-up. We additionally correlated baseline protein levels to either humoral or cellular responses, identifying clusters of molecules involved in immune response regulation with inverse profiles between the 2 study groups.

Conclusions

Responses of ART-treated HIV-infected patients, compared to those of HCs, were characterized by distinct features especially within the proteomic compartment, supporting their eligibility to an additional dose, similarly to the HC schedule.
Daily Social Interactions and Momentary Loneliness: The Role of Trait Loneliness and Neuroticism
Authors: Zhaoyang Ruixue , Harrington Karra D , Scott Stacey B , Graham-Engeland Jennifer E , Sliwinski Martin J
Published: June 2022

Objectives

Loneliness has been linked to poor mental and physical health outcomes in later life. Little is known about how daily social interactions relate to older adults’ everyday experiences of loneliness. This study examined the dynamic associations between social interactions and the momentary feelings of loneliness in older adults’ daily lives. We further examined whether individual differences in trait loneliness and neuroticism influenced the extent to which daily social interactions were related to moment-to-moment changes in loneliness.

Method

Participants were 317 community-dwelling older adults (aged 70–90 years) who reported their social interactions and momentary feelings of loneliness 5 times daily for 14 consecutive days using smartphones.

Results

Having more frequent, more pleasant, and in-person social interactions, as well as interactions with family and friends specifically, significantly predicted lower momentary loneliness a few hours later. Higher levels of momentary loneliness, in turn, predicted less likelihood of engaging in these types of social interactions subsequently. In addition, older adults with higher (vs lower) traits of loneliness and neuroticism experienced greater decreases in momentary feelings of loneliness after having more frequent or pleasant social interactions, or interactions with family members.

Discussion

These results expand our understanding of the dynamic associations between daily social interactions and loneliness in later life and provide insights to inform future research, including the possibility of behavioral interventions that target social interactions to reduce the risk for loneliness.
Actor and Partner Effect of Loneliness on Episodic Memory and Verbal Fluency: A Dyadic Multilevel Analysis of Romantic Couples Across 28 Countries
Authors: Luchetti Martina , Ledermann Thomas , Aschwanden Damaris , Nikitin Jana , O’Súilleabháin Páraic S , Stephan Yannick , Terracciano Antonio , Sutin Angelina R
Published: June 2022

Objectives

There is evidence that loneliness is detrimental to cognitive health. Most studies, however, do not consider the association between loneliness and cognition in the context of close relationships, such as a spouse or romantic partner. This study examines loneliness, experienced by both the individual and their romantic partner, and cognitive performance.

Methods

Data were from 24,689 opposite-sex couples (49,378 participants) from 28 countries in the Survey of Health, Aging and Retirement in Europe. Each couple participant reported loneliness and completed memory and verbal fluency tasks. A multilevel sex-stratified analysis was used to account for the nested data structure and evaluate actor and partner effects of loneliness on cognitive performance for male and female partners.

Results

Consistent with the literature, there were small actor effects of loneliness on memory and verbal fluency for both males and females: A person’s own loneliness was associated negatively with their cognitive performance on both tasks. There were also small partner effects: A person with a partner who was lonely tended to have worse cognitive performance above and beyond their own loneliness. Actor and partners effects were similar for male and female partners, replicated in most countries, and generally held controlling for age, education, household size, and disease burden. For memory, loneliness effects were slightly stronger among older participants.

Discussion

Both the experience of loneliness and loneliness of a partner have a negative association with cognitive health.
Can we use seismic reflection data to infer the interconnectivity of fracture networks?
Authors: Rubino J Germán , Barbosa Nicolás D , Hunziker Jürg , Holliger Klaus
Published: June 2022

While variations of seismic reflection amplitudes with incidence angle (AVA) and azimuth have been widely used to provide information on geometric characteristics of fractures, this attribute has, as of yet, not been linked to fracture interconnectivity, which tends to govern the hydraulic property of the affected formation. This is due to limitations of the forward models considered to represent the corresponding seismic responses. Based on a poroelastic upscaling procedure and a subsequent plane-wave analysis, we show for the first time that seismic reflection coefficients are highly sensitive to fracture interconnectivity. Moreover, our results suggest that crossplots of commonly used AVA coefficients can be used to delineate regions of fractured formations with higher or lower fracture interconnectivity. This sensitivity is due to changes of the stiffening effect of the fluid contained within interconnected fractures in response to wave-induced fluid-pressure diffusion, a physical process that has not been previously accounted for in seismic reflection analyses.