We report on the use of quartz-enhanced photoacoustic spectroscopy (QEPAS) for multi-gas detection. Photo-acoustic (PA) spectra of mixtures of water (H2O), ammonia (NH3) and methane (CH4) were measured in the mid-infrared (MIR) wavelength range using a MIR (mid-infrared) optical parametric oscillator (OPO) light source. Highly overlapping absorption spectra is a common challenge for gas spectroscopy. To mitigate this, we use a partial least-squares regression (PLS) method to estimate the mixing ratio and concentrations of the individual gasses. The concentration range explored in the analysis varies from a few parts-per-million (ppm) to thousands of ppm. Spectra obtained from HITRAN and experimental single-molecule reference spectra of each of the molecular species were acquired and used as training data sets. These spectra were used to generate simulated spectra of the gas mixtures (linear combinations of the reference spectra). Here in this proof-of-concept experiment we demonstrate that after an absolute calibration of the QEPAS cell, the PLS analyses could be used to determine concentrations of single molecular species with a relative accuracy within a few % for mixtures of H2O, NH3 and CH4 and with an absolute sensitivity of approximately 300(±50) ppm/V, 50(±5) ppm/V and 5(±2) ppm/V for water, ammonia and methane, respectively. Thus, demonstrating that QEPAS assisted by PLS is a powerful approach to estimate concentrations of individual gas components with considerable spectral overlap, which is a typical scenario for real-life adoptions and applications.

Molnupiravir, a prodrug known for its broad antiviral activity, demonstrated efficacy in animal models of Covid-19, prompting clinical trials where initial results indicated a significant effect against the disease. However, subsequent clinical studies did not confirm these findings, leading to the rejection of molnupiravir for permanent market authorization in many countries. This report critically assessed 19 studies published in 17 reports that investigated the efficacy of molnupiravir in animal models of Covid-19 with the purpose of determining how well the design of these models informed human studies. We found that the administered doses of molnupiravir in most studies involving animal Covid-19 models were disproportionately higher than the dose rec-ommended for human use. Specifically, when adjusted for body surface area, half of the doses of molnupiravir used in the animal studies were more than twice as high as the human dose. Addi-tionally, the drug was frequently given prophylactically or shortly after SARS-CoV-2 inoculation in these models, in contrast to clinical trials where such timing is not consistently achieved. Furthermore, the recommended five-day treatment duration for humans was exceeded in several animal studies. Collectively, we suggest that these design elements in the reported animal studies contributed to a bias favoring molnupiravir, and thus inflated expectations for its efficacy against Covid-19. Addressing these elements may offer avenues to enhance the clinical efficacy of mol-nupiravir for treatment of Covid-19 that include dose increment, early treatment, and admin-istration by inhalation along with use of molnupiravir in antiviral combination therapy.

An extensive thermodynamic study of N-methylformamide (CAS RN: 123-39-7) and N,N-dimethylformamide (CAS RN: 68-12-2), is presented in this work. The liquid heat capacities of N-methylformamide were measured by Tian–Calvet calorimetry in the temperature interval (250 – 300) K. The vapor pressures for N-methylformamide and N,N-dimethylformamide were measured using static method in the temperature range 238 K to 308 K. The ideal-gas thermo-dynamic properties were calculated using a combination of the density functional theory (DFT) and statistical thermodynamics. A consistent thermodynamic description was developed using the method of simultaneous correlation, where the experimental and selected titerature data for vapor pressures, vaporization enthalpies, and liquid phase heat capacities and calculated ide-al-gas heat capacities are treated together to ensure overall thermodynamic consistency of the results. Resulting vapor pressure equation is valid from the triple point to the normal boiling point temperature.

Silver eel were sampled in 1981 and 1983 in River Brede, Denmark, with outlet to the North Sea. Yellow eel in River Køge-Lellinge, Denmark, with outlet to the Baltic Sea were sampled 1965-1968. Silver eel were aged by burning the otoliths. Silver male ages varied from 4 to 25 years, lengths 30.8 to 45.3 cm, and female silver eel varied from 7 to 25 years, lengths 42.3 to 77.3 cm. von Bertalanffy trajectories of length-at-age of male and female yellow eel were calculated in both rivers. Younger yellow eel had significantly higher annual growth rate compared to older age groups, and females grew significantly faster than males. Two models for natural mortality M were used to estimate number of glass eel needed to produce number of silver eel for each sex and silver age group. Annual silver eel production from River Brede Å was 49.2 kg ha-1, demanding 2,894 glass eel ha-1 and in River Køge-Lellinge, the silver eel production was 48.5 kg ha-1, demanding 5,570 glass eel ha-1. It was calculated that one (0.29 g) thousand glass eel contribute to 8.8 kg silver eel in River Køge-Lellinge, and 17.0 kg silver eel in River Brede. To fulfill the Danish EMP in rivers requires annual stocking of 33 tons or 9.4 million reared on-grown eel (3.5 g) to compensate for 183 tons lost silver eel.

Hantaviruses are enveloped viruses that possess a tri-segmented, negative-sense RNA genome. The viral S-segment encodes the multifunctional nucleocapsid protein (N), which is involved in genome packaging, intracellular protein transport, immunoregulation and several other crucial processes during hantavirus infection. In this study we have generated fluorescently tagged N protein constructs derived from Puumalavirus, the dominant hantavirus species in Central, Northern and Eastern Europe. We have comprehensively characterized this protein in the rodent cell line CHO-K1, monitoring the dynamics of N protein complex formation and investigating co-localization with host proteins as well as the viral glycoproteins Gc and Gn. We found a significant spatial correlation of N with vimentin, actin and P-bodies, but not with microtubules. N constructs also co-localized with Gn and Gc, albeit not as strong as the glycoproteins associated with each other. Moreover, we as-sessed oligomerization of N constructs, observing efficient and concentration-dependent multi-merization, with complexes comprising more than 10 individual proteins.

This article discusses an international scientific expedition to Greenland that researched geography, geodesy, botany, and glaciology of the area. The results here focus on the geodetic and glaciological results obtained with the eBee drone in the eastern part of Greenland at the front of the Knud Rasmussen glacier. From two overflights nearby the glacier front, it was possible to obtain the speed of the glacier flow and the distribution of velocities in the glacier stream. The results correlate with other measurement methods and this technology has been shown as feasible. Of course, there are more accurate and long-term options or devices for monitoring the flow of glaciers. In this case of short-term visits to the site, the possibility of using a drone is interesting and the results show not only the flow speed of the glacier, but also the shape and structure from a height of up to 200m. The second part of the paper focuses on the analysis of modern satellite images of the Knud Rasmussen glacier from Google Earth (Landsat series 1984-2016) and a comparison with historical aerial images from 1932-1933. Experimentally, historical images were processed photogrammetrically into a 3D model.

Adenylosuccinic acid (ASA) is a small molecule dicarboxylate that could be a strong clinical development candidate for inherited myopathies involving dysregulated purine nucleotide metabo-lism. Currently, there are no published pharmacokinetic/dynamic or toxicology data available, albeit 10-year clinical trial data in Duchenne muscular dystrophy patients suggests a chronically safe drug. In this study, we tested the toxicity of ASA to cultured myoblasts in vitro and acute systemic toxicity in mice. ASA is a non-toxic small molecule with an LD50> 5000mg/kg. Some background necrotic foci in the liver, kidney and gastrointestinal tract were shown that are likely incidental but warrant follow-up sub-/chronic oral exposure studies.

To assess the impact of tourism on the incidence of HIV and AIDS using Malaysian epidemiological data over the period of 1986-2011 with additional consideration for newborns infected with HIV. A population-level mathematical model was used to investigate: i) the role of tourism in the spread of HIV and measures used to reduce HIV spread in Malaysia; ii) whether the stability of infectious disease transmission is dependent on the flow of visiting tourists. We first derived an equation for the reproduction number (R0) threshold to quantify the contagiousness of HIV in Malaysia. Sensitivity analyses were used to determine the effect of various parameters on HIV transmission with respect to the increase in tourism. Our findings suggest that a stable disease-free state is sustainable based on the low value of R0 was 0.0017. This result is encouraging from a public health perspective. Approximately 14% of outbound tourists who leave the country return infected with HIV and the difference between the rate at which tourists move to the susceptible category and the rate at which tourists leave the susceptible is category is 12%. Estimated parameters for the influx of tourist rates, δ=1.1540x10-3[1.1477x10-3 - 1.15954x10-3], δ1=7.7901x10-4[7.7867x10-4 - 7.79418x10-4], and δ2=1.4030x10-8[-7.2287x10-7-7.5096x10-7], significantly impacted the spread of HIV in Malaysia. Some significant adjustments were made to the expected parameters. The methods used are helpful to public health analyses and provide a framework for epidemiological modeling of HIV spread among tourists. The trend and magnitude of tourist inflows may be determinants in the incidence of HIV and AIDS in Malaysia.

Evolutionary psychology theories propose that contact with green, natural environments may benefit physical health, but little comparable evidence exists for brown, natural environments, such as the desert. In this study, we examined the association between “brownness” and “greenness” with fasting glucose among young residents of El Paso, Texas. We defined brownness as the surface not covered by vegetation or impervious land within Euclidian buffers around participants’ homes. Fasting glucose along with demographic and behavioral data was obtained from the Nurse Engagement and Wellness Study (N = 517). We found that residential proximity to brownness was not associated with fasting glucose when modeled independently. In contrast, we found that residential greenness was associated with decreased levels of fasting glucose, despite the relatively low levels of greenness within the predominantly desert environment of El Paso. A difference between the top and bottom greenness exposure quartiles within a 250 m buffer was associated with a 3.5 mg/dL decrease in fasting glucose levels (95% confidence interval: -6.2, -0.8). Our results suggest that within the understudied context of the desert, green vegetation may be health-promoting to a degree that is similar to other, non-desert locations in the world that have higher baselines levels of green.

Materials based on platinum metals with very good catalytic activity were tested in the reduction of p–nitrophenol (pNP) to p–aminophenol (pAP). The majority of presented catalytic materials are based on the adsorption of p–nitrophenol on the surface of the catalyst simultaneously with molecular hydrogen, coming from sodium borohydride in an aqueous medium, which reduces it. In the present paper, a catalytic material based on osmium dispersed in n–decanol or n–dodecanol is presented, which also works as an emulsion membrane, for the absorption of p–nitrophenol and molecular hydrogen at the n–alcohol aqueous solution interface. The hydrogenation of p–nitrophenol is carried out in a reaction and separation column in which the acid receiving phase emulsion is dispersed in the osmium nanodispersion, in n–alcohols. This emulsion circulates from the base of the column to its upper part in co-current or counter-current with the source phase consisting of p–nitrophenol and sodium borohydride. Experiments show that the circulation of counter-current phases is superior to that in co-current, and the emulsion based on n–decanol is more efficient than the one based on n–dodecanol. The increase in the pH difference between the source and receiving phases leads to the increase in the conversion of p–nitrophenol to p–aminophenol. The efficiency of separation of the reaction product in the receiving phase is lower than the conversion at the same operating time. The apparent catalytic rate constant (kapp) of the new catalytic material based on the emulsion membrane with nanodispersion of osmium nanoparticles (0.1×10−3 for n–dodecanol and 0.9×10−3 for n-decanol) is lower by an order of magnitude compared to those based on adsorption on catalysts from platinum metal group. The advantage of the tested membrane catalytic material is that it extracts p–aminophenol in the acid receiving phase. The paper proposes a mechanism of the studied reduction system.

: Rasmussen’s encephalitis (RE) stands as a rare neurological disorder marked by progressive cerebral hemiatrophy and epilepsy resistant to medical treatment. Despite extensive study, the primary cause of RE remains elusive, while its histopathological features encompass cortical inflammation, neuronal degeneration, and gliosis. The underlying molecular mechanisms driving disease progression remain largely unexplored. In this case study, we present a patient with RE who underwent hemispherectomy and has remained seizure-free for over six months, experiencing gradual motor improvement. Further-more, we conducted molecular analysis on the excised brain tissue, unveiling a decrease in the expres-sion of cell cycle-associated genes coupled with elevated levels of BDNF and TNF-α proteins. These findings suggest potential involvement of cell cycle regulators in the progression of RE.

Background: Runners have high incidence of repetitive load injuries, and habitual runners often use smartwatches with embedded IMU sensors to track their performance and training. If accelerometer information from such IMUs can provide information about individual tissue loads, then running watches may be used to prevent injuries. Methods: We investigate a combined physics-based simulation and data-based method. 285 running trials from 76 real runners are subjected to physics-based simulation to recover forces in the Achilles tendon and patella ligament, and the collected data are used to train and test a data-based model using elastic net and gradient boosting methods. Results: Correlations up to 0.95 and 0.71 for the patella ligament and Achilles tendon forces, respectively, are obtained, but no single best predictive algorithm can be identified. Conclusions: Prediction of tissues loads based on body-mounted IMUs appears promising but requires further investigation before deployment as a general option for users of running watches to reduce running-related injuries.

Desmin is the major intermediate filament protein of all three muscle cell types and connects different cell organelles and multi-protein complexes like the cardiac desmosomes. Several pathogenic mutations in the DES gene cause different skeletal and cardiac myopathies. However, the significance of the majority of DES missense variants is currently unknown since functional data are lacking. To determine whether desmin missense mutations within the highly conserved 1A coil domain cause a filament assembly defect, we generated a set of variants with unknown significance and analyzed systematically the filament assembly in transfected SW13 and H9c2 cells using confocal microscopy. We found that mutations in the N-terminal part of the 1A coil domain affect the filament assembly leading to the cytoplasmic desmin aggregation. In contrast, mutant desmin in the C-terminal part of the 1A coil domain form filamentous structures comparable to wild-type desmin. Our findings suggest that the N-terminal part of the 1A coil domain is a hot spot for pathogenic desmin mutations, which affect the desmin filament assembly leading in consequence to skeletal and/or cardiac myopathies. This study may have relevance for the genetic counselling of patients carrying variants in the 1A coil domain of the DES gene.

The main inhibitory neurotransmitter in the mammalian brain is 4-aminobutyric acid (GABA). Phthalimide acts as a sodium channel antagonist, one of the finest targets for treating epilepsy is the sodium channel and JNK kinase activity is inhibited to treat epilepsy. a novel compound with multiple targets of action for the treatment of epilepsy also anti-oxidant activity has been designed. The compounds are designed in two series aldehydes and aniline. Docking of all the designed compounds has been done with the suitable protein GABA-AT, sodium channel, JNK protein, and anti-oxidant from protein bank. QSAR was done for constructing many linear regression models. In combination with the developed Docking and QSAR outcomes, ADMET has been performed for the active compounds. The result shows that 11 of the compounds have excellent binding energy in docking with all the receptors and also have good QSAR results and follow the ADMET. The structural understanding of human GABA-AT inhibition was obtained from molecular dynamics simulation studies for compound no. 11 at 5 nanoseconds. Synthesis and pharmacological activity also suggest that the designed compound no.11 be considered the best Novel Compound.

To achieve n-type doping in diamond, extensive investigations employing first principles have been conducted on various models of phosphorus doping and boron-phosphorus co-doping. The primary focus of this study is to comprehensively analyze the formation energy, band structure, density of states, and ionization energy of these structures. It is observed that within a diamond structure solely composed of phosphorus atoms, the formation energy of an individual carbon atom is excessively high. However, the substitution of two carbon atoms leads to the conversion of diamond into a p-type semiconductor. Upon examining the P-B co-doping structure, it is revealed that the doped impurities exhibit a tendency to form more stable cluster configurations. As the separation between the freely doped atoms and the cluster impurity structure increases, the overall stability of the structure diminishes, consequently resulting in an elevation of the ionization energy. Analysis of the electronic density of states demonstrates that the electron orbit of the B atom makes negligible contributions to the impurity levels during P-B doping.

The study shows that the volumes and surfaces of the $n$-simplices, $n$-orthoplices, $n$-cubes, and $n$-balls are holomorphic functions of $n$, which makes those objects omnidimensional. Furthermore, the volume of an $n$-simplex is shown to be a bivalued function of $n$, and thus the surfaces of $n$-simplices and $n$-orthoplices are also bivalued functions of $n$. Applications of these formulas to the omnidimensional polytopes inscribed in and circumscribed about $n$-balls reveal previously unknown properties of these geometric objects in negative dimensions. In particular, for $0 < n < 1$, the volumes of the omnidimensional polytopes are larger than those of circumscribing $n$-balls, while their volumes and surfaces are smaller than the volumes of inscribed $n$-balls. Reflection relations around $n = 0$ for volumes and surfaces of these polytopes inscribed in and circumscribed about $n$-balls are disclosed. Specific products and quotients of volumes and surfaces of the omnidimensional polytopes and $n$-balls are shown to be independent of the gamma function.

Tinea incognito is a kind of skin infection that is caused by a fungus which has been changed by the use of topical or systemic steroids or other immunosuppressive medications. This alteration in the typical clinical presentation of the infection makes it difficult to diagnose for general practitioners and dermatologists. Delayed diagnosis, spread of the infection to critical body surfaces, resistance to antifungal drugs, and increased costs due to prolonged hospitalization and multiple treatment regimens often complicate tinea incognito. This condition can affect individuals of all ages and genders, but it is more common in children. Tinea incognito is a type of fungal skin infection that can present with various and non-specific clinical features, such as sudden onset of itching in an area that was previously unaffected, making it challenging to differentiate from other diseases such as eczema, seborrheic dermatitis, lupus erythematosus, psoriasis, or other non-fungal skin conditions. The treatment of tinea incognito usually involves stopping the use of topical steroids or other immunosuppressive medications. Preventive measures and management of the underlying fungal infection are necessary and can be achieved with antifungal drugs. Patients should wear loose cotton clothes, use boiling water for laundry, and iron their clothing before wearing them. Additionally, they should avoid sharing bed linens, towels, clothes, and shoes. This review aims to raise awareness of tinea incognito among health practitioners, provide tips for suspecting the disorder, include it in the differentials, and evaluate the available diagnostic procedures. The therapy utilized in published studies is also reviewed.

Yellow eels were sampled by electrofishing in 1979, 1980 and 1981 in Vester Vedsted Baeck, Denmark, stem 6 km, catchment 24 km², with outlet to the North Sea. Yellow eels were aged by burning the otoliths. The eels were not sexed, and they varied from 6.5 to 44 cm in length. The ages varied from 0+ to 10+ year. The annual growth rate ∆ varied from 3.4 cm for 0+ eel to 2.2 cm for 10+ eel with a mean of 3.1 cm. Body mass wet wt. was recalculated to Kcal energy, with an annual growth rate ∆ of 5.33 Kcal. In contrast to body mass, the annual growth rate ∆ in Kcal increased with age. Von Bertalanffy growth trajectory (cm) of length-at-age was calculated and L∞ = 118.4 cm. Annual natural mortality M was estimated, and M was significantly depending on body mass, i.e. high M and low body mass vs. low M at high body mass. The biological production was calculated to 13.5 g wet weight m^-2 year^-1. Total 780 eel stomachs were analyzed, of which 287 (37%) were empty. The weight of food content (2.1% of eel body mass) increased proportional with eel body mass. Chironomid larvae, Ephemeroptera nymph, Simulium larvae and Gammarus pulix were the dominating food taxa, followed by Trichoptera larvae. Size of prey were independent on length of eel.

Antioxidant, anti-inflammatory and chemo-preventive features have been reported for the carotenoid diatoxanthin. Diatoxanthin is only produced by a few groups of microalgae where it functions in photoprotection. Its large-scale production in microalgae is currently not feasible. In fact, rapid conversion into the inactive pigment diadinoxanthin is triggered when the cells are removed from the high-intensity light source, which will be the case during large-scale harvesting of microalgae biomass. Zeaxanthin epoxidase (ZEP) 2 and/or ZEP3 have been suggested to be responsible for the back-conversion of high-light accumulated diatoxanthin to diadinoxanthin in low light in diatoms. Using the CRISPR/Cas9 gene editing technology we knocked out the ZEP2 and ZEP3 genes in the already commercially used marine diatom Phaeodactylum tricornutum to investigate their role in the diadinoxanthin-diatoxanthin cycle, and to determine if one of the mutant strains could function as a diatoxanthin production line. Light shift experiments proved that ZEP3 encodes the enzyme converting diatoxanthin to diadinoxanthin in low light. Loss of ZEP3 caused the high-light accumulated diatoxanthin to be stable for several hours after the cultures had been returned to low light, suggesting that zep3 mutant strains could be suitable as commercial production lines of diatoxanthin.

Post-translational modifications (PTMs) of histone residues shape the landscape of gene expression by modulating the dynamic process of RNAPII transcription. The contribution of particular histone modifications to the definition of distinct RNAPII transcription stages remains poorly characterized in plants. Chromatin Immuno-precipitation combined with next-generation sequencing (ChIP-seq) resolves the genomic distribution of histone modifications. Here, we review histone PTM ChIP-seq data in Arabidopsis thaliana and find support for a Genomic Positioning System (GPS) that guides RNAPII transcription. We review the roles of histone PTM “readers”, “writers” and “erasers”, with a focus on the regulation of gene expression and biological functions in plants. The distinct functions of RNAPII transcription during the plant transcription cycle may in part rely on the characteristic histone PTMs profiles that distinguish transcription stages.

This paper presents a theory on graph topological structure and graph coloring, proving that for any N-order graph structure (with a topological structure similar to ), the maximum number of colors required for coloring is less than or equal to . The Four Color Theorem is just one special case of this theory, with the maximum structure size for a four-color graph being a 4-order structure graph, hence requiring only a maximum of 4 colors for coloring.

Special machinery engineering is of great importance to the manufacturing industry and makes a comparatively large contribution to many economies. Digital transformation is already well advanced in many producing industries, and modern ICT technologies such as agents, service orientation, digital twins and artificial intelligence are being used with increasing success. In addition to improving specific product characteristics such as reliability or flexibility, the adoption of modern ICT technologies to ensure sustainability is being intensively discussed. So far, however, there has been little uptake of these technologies in the special machinery industry; sustainability receives little attention. This article examines in detail the reasons for and impediments to the adoption of modern ICT technologies based on a study among special machinery manufacturers. Observations of existing challenges were gathered during daily work, described in detail, and used to derive conclusions about causal barriers. From this, detailed requirements are derived to promote the adoption of modern ICT technologies in the special machinery engineering sector and, ultimately, to bring sustainability more into focus.

In winter sports, the equipment often comes into contact with snow or ice, and this contact generates a force that resists motion. In some sports, such as cross-country skiing, this resistive force can significantly affect the outcome of a race, as a small reduction in this force can give an athlete an advantage. Researchers have examined the contact between skis and snow in detail, and to fully understand this friction, the entire ski must be studied at various scales. At the macro scale, the entire geometry of the ski is considered and the apparent contact between the ski and the snow is considered and at the micro scale the contact between the snow and the ski base ski-base textures. In the present work, a method for characterising contact between the ski-base texture and virtual snow will be presented. Six different ski-base textures will be considered. Five of them are stone-ground ski bases, and three of them have linear longitudinal textures with a varying number of lines and peak-to-valley height, and the other two are factory-ground “universal” ski bases. The sixth ski base has been fabricated by a steel-scraping procedure. In general, the results show that a ski base texture with a higher Spk-value has less real contact area, and that the mutual differences can be large for surfaces with similar Sa-values. The average interfacial separation is, in general, correlated with the Sa-value, where a “rougher” surface exhibits a larger average interfacial separation. The results for the reciprocal average interfacial separation, which is related to the Couette type of viscous friction, were in line with the general consensus that a “rougher” texture performs better at high speed than a “smoother” one, and it was found that a texture with high Sa and Spk values resulted in a low reciprocal average interfacial separation and consequently low viscous friction. The reciprocal average interfacial separation was found to increase with increasing real contact area, indicating a correlation between the real area of contact and the Couette part of viscous friction.

As the globe becomes more urban, the question how much natural biodiversity can subsist in cities becomes increasingly urgent to answer, and also how is urban diversity structured? To contribute to an answer, we studied the metacommunity of bees in a North European metropolitan area. The system consisted of 13 sites in the city of Aarhus, Denmark, censused from April to September during one year. Bees were sampled monthly in pan traps and a set of traits was related to their presence. In total, 40 species were collected–29 solitary species (40% of all sampled individuals), ten Bombus species (28%), and Apis mellifera (32%). Most sampled bees were soil-nesting, pollen generalists, and relatively common. Habitat diversity within a set of concentric circles with trap as centre and radius from 50 m to 1000 m was related to bee a diversity per site (total bee spp. with and without honeybee, solitary bees, and bumblebees). The relationship was only significant within the 1,000 m circle, and solitary bee diversity did not even correlate with habitat diversity at this large spatial scale level. The bee-site (space) and bee-month (time) networks were analyzed with respect to nestedness, modularity, and spatio-temporal b diversity. The two networks were weakly nested and strongly modular, being composed of five and six modules of tightly linked bees. Total b diversity, b_TOTAL, is the sum of species turnover, b_TURN, and species loss/gain or nestedness, b_NEST; and for both space and time, b_TURN was more important than b_NEST. Furthermore, b_TOTAL was higher than season b_TOTAL. Thus, the urban bee metacommunity was well-structured in both space and time and the high b_TURN indicated, that the network was strongly modular. We suggest the main reason is the high spatio-temporal patchiness of habitats, sustaining many unique species.

Reducing fertilizer-N rate, applying nitrification inhibitor (NI), and incorporating straw are widely recommended to improve N use efficiency of crops and decrease N losses. However, how these practices affect crop N uptake by regulating the fertilizer-N fate during the growing season is not well understood. We conducted a field 15N tracer study to explore the effectiveness of reduced N application, NI, and straw incorporation on fertilizer-N fates for maize cultivation in Northeast China. The following six treatments were used: 1) no N fertilization (control); 2) 200 kg urea-N ha−1 (100%N); 3) 200 kg urea-N ha−1 and 2400 kg dry-straw ha−1 (100%N+S); 4) 160 kg urea-N ha−1 (80%N, i.e., 20% reduction of N fertilization); 5) 160 kg urea-N ha−1 and nitrification inhibitor (Nitrapyrin) (80%N+NI); 6) 160 kg urea-N ha−1, nitrification inhibitor and 2400 kg dry-straw ha−1 (80%N+NI+S). Our results showed that the five N fertilization treatments yielded 16%–25% more grain and 39%–60% more crop N uptake than the control receiving no N fertilizer, but the differences among the five treatments were not statistically significant. In contrast to plant growth, changes in fertilizer-N fates in soil and plant pools were more pronounced. Compared with the 100%N treatment, 20% fertilizer-N reduction (80%N) decreased 15N concentration in topsoil and plant pools but increased the proportion of plant 15N recovery at harvesting (N use efficiency, NUE15N, 60% vs. 50%) (P &lt; 0.05). Nitrapyrin co-application (80%N+NI) delayed soil nitrification and increased soil 15N retention at harvesting (52% vs. 36%), thereby decreasing NUE15N significantly (P &lt; 0.05). Straw incorporation (100%N+S) decreased fertilizer-N retention compared with NI co-application because it promoted NUE15N significantly (P &lt; 0.05). The combined application of NI and straw (80%N+NI+S) was more conducive to fertilizer-N retention in soil. Our findings demonstrate that NI and straw additions are efficient strategies for stabilizing fertilizer-N in soils and potentially minimizing N loss; however, their effects on NUE15N vary and the related mechanism must be further clarified in long-term trials.

Nanocrystalline silicon oxide (nc-SiOx:H) is a multipurpose material with its varied application in solar cells as a transparent front contact, intermediate reflector, back reflector layer and even tunnel layer for passivating contacts, owing to easy tailoring of its optical properties. In this work, we systematically investigate the influence of gas mixture (SiH4, CO2, PH3 and H2), RF power and process pressure on the optical, structural and passivation properties of thin n-type nc-SiOx:H films prepared in an industrial, high throughput, plasma-enhanced chemical vapor deposition (PECVD) reactor. We provide a detailed description of the n-type nc-SiOx:H material develop-ment using various characterization techniques (SEM, EDX, Raman spectroscopy, and spectro-scopic ellipsometry) with a focus on the relationship between the material properties and the pas-sivation they provide to n-type c-Si wafers characterized by their effective carrier lifetime (τeff). Further, we also outline the parameters to be kept in mind while developing different n-type nc-SiOx:H layers for different solar cell applications. We report a tunable optical gap (1.8 – 2.3 eV) for our n-type nc-SiOx:H films as well as excellent passivation properties with τeff up to 3.5 ms (iVoc ~ 715 mV) before annealing. Oxygen content plays an important role in determining the crystallinity and hence passivation quality of the deposited nanocrystalline silicon oxide films.

DFT calculations on the photoisomerization reactions of pyridazine N-oxide derivatives are presented. The irradiation of 3,6-diphenylpyridazine N-oxide allowed to obtain the first excited singlet state that underwent to a ring opening reaction induced to the oxygen migration to the adjacent carbon atom, with the formation of a diazo derivative. This intermediate can give a ring closure reaction to give a pyrazole derivative, or, with a higher transition energy, it can lose nitrogen allowing the formation of 2,5-diphenylfuran. The irradiation of 3-phenylpyridazine N-oxide allowed the formation only of 2-phenylfuran. In this case, calculations allowed to explain this behavior. The first excited singlet state gave a photoisomerization reaction with the formation of the corresponding diazo intermediate. This intermediate could not be converted into the corresponding pyrazole derivative because it was converted into a N-formyl pyrazole never reported in literature. The only possible reaction is the loss of nitrogen and the formation of 2-phenylfuran.

Hybrid renewable energy systems (HRES), complemented by pumped hydropower storage (PHS), have become increasingly popular amidst the increase of renewable energy penetration. This con-figuration is even more prosperous in remote regions that are typically not connected to the mainland power grid, where the energy independence challenge intensifies. This research focuses on the design of such systems, from the perspective of establishing an optimal mix of renewable sources that takes advantage of their complementarities and synergies, combined with the versatility of PHS. However, this design is subject to substantial complexities, due to the multiple objectives and constraints to fulfill, on the one hand, and the inherent uncertainties as well, that span over all underlying processes, i.e., external, and internal. In this vein, we utilize a proposed HRES layout for the Aegean Island of Sifnos, Greece, to develop and evaluate a comprehensive simulation-optimization scheme in deterministic and, eventually, stochastic setting, revealing the design problem under the umbrella of uncertainty. In particular, we account for three major uncertain elements, namely the wind velocity (natural process), the energy demand (anthropogenic process), and the wind-to-power conversion (internal process, expressed in terms of a probabilistic power curve). Emphasis is also given to the decision-making procedure, which requires a thorough interpretation of the uncertainty-aware optimization outcomes. Finally, since the proposed PHS uses the sea as the lower reservoir, additional technical challenges are addressed.

Using coherent optical detection and digital signal processing, laser phase noise and equalization enhanced phase noise can be effectively mitigated using the feed-forward and feed-back carrier phase recovery approaches. In this paper, theoretical analyses of feed-back and feed-forward carrier phase recovery methods have been carried out in the long-haul high-speed n-level phase shift keying (n-PSK) optical fiber communication systems, involving a one-tap normalized least-mean-square (LMS) algorithm, a block-wise average algorithm, and a Viterbi-Viterbi algorithm. The analytical expressions for evaluating the estimated carrier phase and for predicting the bit-error-rate (BER) performance (such as the BER floors) have been presented and discussed in the n-PSK coherent optical transmission systems by considering both the laser phase noise and the equalization enhanced phase noise. The results indicate that the Viterbi-Viterbi carrier phase recovery algorithm outperforms the one-tap normalized LMS and the block-wise average algorithms for small phase noise variance (or effective phase noise variance), while the one-tap normalized LMS algorithm shows a better performance than the other two algorithms for large phase noise variance (or effective phase noise variance). In addition, the one-tap normalized LMS algorithm is more sensitive to the level of modulation formats.

Air pollution is a critical issue impacting urban environments, leading to severe health problems and environmental degradation. This comprehensive review examines the potential of green systems—specifically green walls, active green walls, and urban greenery systems—to mitigate atmospheric pollutants such as particulate matter (PM), volatile organic compounds (VOCs), and carbon dioxide (CO2). By systematically analyzing 44 recent studies, the review highlights the pollutant capture efficiency of various green technologies and plant species in both indoor and outdoor settings. Active green walls, particularly those utilizing plant species such as Chlorophytum comosum and Sansevieria trifasciata, were found to be highly effective, with VOC reduction efficiencies up to 96.34%, PM reductions by 65.42%, and CO2 reduction rates reaching 4.8% under optimal conditions. The review identifies key strengths in current research, including diverse experimental setups and the use of sophisticated measurement techniques, but also notes significant limitations such as variability in experimental conditions and a lack of long-term performance data. The study underscores the importance of proper maintenance to sustain green systems' efficacy and highlights the potential issue of pollutant resuspension, which remains under-researched. Practical implications for urban planning are discussed, advocating for the integration of effective green systems into urban infrastructure to enhance air quality and public health. Recommendations for future research include the need for standardized metrics, long-term studies, economic feasibility analyses, and real-world validation of simulation models to better understand and optimize green systems for urban air pollution mitigation.

The interaction between single or a fixed number of photons with a single absorber is of fundamental interest in quantum technology. The harnessing of light matter interactions at the single particle limit has several potential applications ranging from quantum communication and quantum metrology to quantum imaging. In this letter, a setup for heralded two-photon absorption at the single absorber level is proposed. The setup is based on a heralded two-photon source utilizing spontaneous parametric down-conversion, entanglement swapping and sum frequency generation for joint detection. The feasibility of the scheme is discussed by reviewing recent achievements in utilizing entangled and correlated photons for two-photon absorption as well as single photon absorption experiments at the limit of single absorbers in the context of applications in imaging (here mainly microscopy) and spectroscopy.

The compound, C27H23N3 (1), crystallizes in the triclinic system of the P-1 space group. The unit cell comprises a dimer of 1, in which the monomers are linked by two complementary hydrogen bonds between N1 and H1-C1 of another molecule. The dimers form chains along the a-axis through intermolecular interactions between the N2 acceptor atoms and C17 donors from molecules in the nearest neighbouring dimer. These interactions form extended sheets of the dimers of 1, along the ab plane. The quinolinylmeth-2-yl groups of 1 lie in almost orthogonal planes and their N1/2(q) donor atoms being away from the apical amino N3 atom.

The study examines n-balls, regular n-simplices, and n-orthoplices in real dimensions using novel recurrence relations that removed indefiniteness present in known formulas. They show that in the negative, integer dimensions volumes of n-balls are zero if n is even, positive if n = -4k - 1, and negative if n = -4k - 3, for natural k. Volumes and surfaces of n-cubes inscribed in n-balls in negative dimensions are complex, wherein for negative, integer dimensions they are associated with integral powers of the imaginary unit. The relations are continuous for n Î ℝ and show that the constant of π is absent for 0 ≤ n < 2. For n < -1 self-dual n-simplices are undefined in the negative, integer dimensions, and their volumes and surfaces are imaginary in the negative, fractional ones, and divergent with decreasing n. In negative, integer dimensions n-orthoplices reduce to the empty set, and their real volumes and imaginary surfaces are divergent in negative, fractional ones with decreasing n. Out of three regular, convex polytopes present in all natural dimensions, only n-orthoplices, n-cubes (and n-balls) are defined in the negative, integer dimensions.

Ulcerative colitis (UC) is a chronic inflammatory disease, the incidence of which is increasing worldwide. However, the etiology and pathogenesis of UC remains unclear. The n-butanol extract of pulsatilla decoction (BEPD) of the traditional Chinese medicine herbal formula has been shown to be effective in treating UC. We aimed to explore the molecular mechanism underlying the effects of BEPD on UC, in particular its effects on neutrophil extracellular trap (NET) formation by neutrophils. High-performance liquid chromatography was used to determine the principal compounds of BEPD. UC was induced in mice using dextran sodium sulfate, and mice were treated with 20, 40, or 80 mg/kg BEPD daily for seven days. Colonic inflammation was determined by assessing the disease activity index, histopathology, colonic mucosal damage index, colonic mucosal permeability, and pro- and anti-inflammatory cytokine levels. The infiltration and activation status of neutrophils in the colon were determined by analyzing the levels of chemokine (C-X-C motif) ligand (CXCL)1 and CXCL2, reactive oxygen species, Ly6G, and numerous NET proteins. Our results showed that BEPD improved the disease activity index, histopathology, and colonic mucosal damage index scores of mice with UC, and restored colonic mucosal permeability compared with untreated mice. The expression levels of the pro-inflammatory cytokines interleukin-1β, interleukin-6, and tumor necrosis factor-α in colon tissues were significantly decreased, while the expression levels of anti-inflammatory cytokines in colon tissues were significantly increased, exceeding those of control mice. In addition, BEPD reduce the expression of the neutrophil chemokines CXCL1 and CXCL2 in the colon tissue of mice with UC, reduced neutrophil infiltration, reduced reactive oxygen species levels, and significantly reduced the expression of NET proteins. BEPD also significantly reduced NET formation. The results of this study suggest that BEPD exerts therapeutic effects in a murine model of UC by inhibiting neutrophil infiltration and activation in the colon, as well as by inhibiting the expression of key proteins involved in NET formation and reducing NET formation, thereby alleviating local tissue damage and disease manifestations.

The crack geometry and associated strain field around Berkovich and Vickers indents on silicon have been studied by X-ray diffraction imaging and micro-Raman spectroscopy scanning. The techniques are complementary, the Raman data coming from within a few micrometers of the indentation, whereas the X-ray image probes the strain field at a distance of typically tens of micrometers. For example, Raman data provides an explanation for the central contrast feature in the X-ray images of an indent. Strain relaxation from breakout and high temperature annealing are examined and it is demonstrated that millimeter length cracks, similar to those produced by mechanical damage from misaligned handling tools, can be generated in a controlled fashion by indentation within 75 micrometers of the bevel edge of 200mm diameter wafers.

Bats are natural hosts for a wide variety of viruses and could therefore be the reservoir, source and spillover for several mammalian viruses, including adenoviruses. We examined faecal samples from 12 bats (five species of the family Vespertilionidae) from central Russia (Moscow Region) and found that two of them (16%) were positive for mastadenoviruses. One of the identified viruses was isolated from faeces of Nyctalis noctule and named BatAdV/MOW15-Nn19. The genome of the BatAdV/MOW15-Nn19 was 37,915 bp in length. Comparative studies have shown significant divergence of the nucleotide sequence of the BatAdV/MOW15-Nn19 genome from European mastadenoviruses, the highest genome sequence similarity was to isolate WA3301 from an Australian bat. Phylogenetic analysis, as well as a comparative analysis of the protein coding genes to homologous available from public database, showed evidence of novel species within Mastadenovirus genus (preliminary named «K»). Analysis of the short part of the DNA polymerase gene of BatAdV/MOW15-Nn19 reveals few NCBI records from Europe with high identity to the new virus, i.e. mastadenoviruses related to the new species are circulating in European bats. The partial genome of another mastadenovirus from Pipistrellus nathusii was identified, it represented bat adenovirus species B, which is widely distributed in European Vespertilionidae bats. New data on the genetic diversity of bat adenoviruses may help to better understand how they evolved in mammals and spread across Europe.

Nowadays, the identification and characterization of grapevine cultivars resilient to climate and water stress while preserving quality traits is crucial for the wine industry. Therefore, the objective of this work was to characterize according to their aromatic potential 9 white and 6 red minority cultivars recently recovered from Castilla-La Mancha region (Spain), subjected at two different water deficit regimes: rainfed, with subsistence irrigation, and irrigated. For this, the varietal aromatic potential index (IPAv) and the detailed aromatic composition were analyzed by HS-SBSE-GC/MS, in extracts of two different ph. For IPAv values, red varieties did not show a clear trend with respect to irrigation. However, in white minority varieties, higher values were obtained under irrigation conditions. Thus, a clear differentiation of the minority varieties in comparison to the references was observed, primarily attributed to the content of esters and acids, in both white and red varieties. A notable contrast was observed at different pH, indicating a greater extractability of certain compounds like linalool, under more acidic conditions. This suggests that some recovered minority cultivars could be promising for cultivation in semi-arid regions with limited water, contributing to the wine sector sustainability in the future.

The process of developing therapies to treat rare diseases is fraught with financial, regulatory, and logistical challenges that have limited our ability to build effective treatments. Recently, a novel type of therapy called antisense therapy has shown immense potential for the treatment of rare diseases, particularly through single-patient N-of-1 trials. Several N-of-1 antisense therapies have been developed recently for rare diseases, including the landmark study of milasen. In response to the success of N-of-1 antisense therapy, the Food and Drug Administration (FDA) has developed unique guidelines specifically for the development of antisense therapy to treat N-of-1 rare diseases. This policy change establishes a strong foundation for future therapy development, and addresses some of the major limitations that previously hindered the development of therapies for rare diseases.

It is important to be able to detect and differentiate between distinct porcine enteric coronaviruses that can cause similar diseases. However, the existence of naturally occurring recombinant coronaviruses such as swine enteric coronavirus (SeCoV) can give misleading results with currently used diagnostic methods. Therefore, we have developed and validated three duplex real-time quantitative RT-PCR assays for the simultaneous detection of, and differentiation between, porcine epidemic diarrhea virus (PEDV) and SeCoV. Transmissible gastroenteritis virus (TGEV) is also detected by two out of these three assays. In addition, a novel triplex assay was set up that was able to detect and differentiate between these alphacoronaviruses and the porcine deltacoronavirus (PDCoV). The validated assays have low limits of detection, close to 100% efficiency and were able to correctly identify the presence of PEDV and SeCoV in 55 field samples, while 20 samples of other pathogens did not give a positive result. Implementing one or more of these multiplex assays into the routine diagnostic surveillance for PEDV will ensure that the presence of SeCoV, TGEV and PDCoV will not go unnoticed.

The existences of the N→C dative bonds in the complexes between N-containing molecules and fullerenes have been verified both theoretically and experimentally. However, finding stable N→C dative bonds is still a highly challenging task. In this work, we investigated computationally the N→C dative bonds in the complexes formed by fullerene C60 with 1,2,5-chalcogenadiazoles, 2,1,3-benzochalcogenadiazoles and 1,2,4,5-chalcogenatriazoles, respectively. It was found that the N→C dative bonds are formed along with the formation of the N–Ch···C (Ch = S, Se, Te) chalcogen bonds. In the gas phase, from S-containing complexes through Se-containing complexes to Te-containing complexes, the intrinsic interaction energies become more and more negative, which indicates that the N–Ch···C chalcogen bonds can facilitate the formation of the N→C dative bonds. The intrinsic interaction energies are compensated by the large deformation energy of fullerene C60. The total interaction energies of Te-containing complexes are negative, while both of the total interaction energies of S-containing complexes and Se-containing complexes are positive. This means that the N→C dative bonds in the Te-containing complexes are more easily observed in experiments in comparison with those in the S-containing complexes and Se-containing complexes. This study provides a new theoretical perspective on the experimental observation of the N→C dative bonds in the complexes involving fullerenes. Further, the formation of stable N→C dative bonds in the complexes involving fullerenes can significantly change the properties of fullerenes, which will greatly simulate and expand the application range of fullerenes.

We have carried out a systematic review of the scientific literature published on PM and, more specifically, on its presence in fish and seafood of interest to the population from Mediterranean area. Given its preference and wide acceptability in the scientific community, we followed the PRISMA. The potential functional and clinical toxicity in humans due to MP in fish must be considered by the chemical composition of the microplastics the presence of PM and its additives, associated contaminants and pathogens in fish and shellfish, as well as the possible effects on human health, requires improving legislation on evaluation and providing a basis for consumer protection.

This work presents a novel approach for the study of the movement of droplets on inclined surfaces under the influence of gravity and chemical heterogeneities. The developed numerical methodology uses data-driven modeling to extend the applicability limits of an analytically derived reduced-order model for the contact line velocity. More specifically, while the reduced-order model is able to capture the effects of the chemical heterogeneities to a satisfactory degree, it does not account for gravity. To alleviate this shortcoming, datasets generated from direct numerical simulations are used to train a data-driven model for the contact line velocity, which is based on the Fourier neural operator and corrects the reduced-order model predictions to match the reference solutions. This hybrid surrogate model, which comprises of both analytical and data-driven components, is then integrated in time to simulate the droplet movement, offering a speedup of five orders of magnitude compared to direct numerical simulations. The performance of this hybrid model is quantified and assessed in different wetting scenarios, by considering various inclination angles and values for the Bond number, demonstrating the accuracy of the predictions as long as the adopted parameters lie within the ranges considered in the training dataset.

(1) Background: Little is known about the baroque composer Domenico Scarlatti (1685-1757), whose life was centred behind closed doors at the royal court in Spain. There are no reports about his illnesses. From his compositions, mainly for harpsichord, an outstanding virtuosity can be read. (2) Case Presentation: In this case report, the only known oil painting of Domenico Scarlatti is presented, on which he is about 50 years old. In it one recognizes conspicuous hands with hints of watch glass nails and drumstick fingers. (3) Discussion: Whether Scarlatti had chronic hypoxia of peripheral body regions as a sign of, e.g., bronchial cancer or a severe heart disease, is not known. (4) Conclusions: The above-mentioned signs recorded in the oil painting, even if they were not interpretable at that time, are clearly represented and recorded for us and are open to diagnostic discussion from today's point of view.

The terpolymers of N-vinylpyrrolidone (VP) with acrylic acid and triethylene glycol methacrylate were synthesized with more than 90% yield by radical copolymerization in ethanol from monomeric mixtures of different composition (98 : 2 : 2, 95 : 5: 2 and 98 : 2: 5). Their physical and chemical characteristics such as monomer composition, absolute molecular masses and hy-drodynamic radii in aqueous media at different temperature were determined. The temperature effect on the behavior of terpolymers in water and aqueous saline buffer solution with pH 7.4 has been studied and the ability of a copolymer enriched with dimethacrylates units was discovered to respond to a temperature change in these media. On the basis of terpolymers and linear polyvi-nylpyrrolidone (PVP), polymer compositions of hydrophobic dye methyl pheophorbide a, MPP, that is fluorescent in the red region of the spectrum, were obtained; the sizes of the polymer nanostructures of MPP in water were determined. The structures based on terpolymers were demonstrated to be more stable than MPP-PVP ones. It was carried out the quantum-chemical modelling of the possible structures of MPP-copolymer that formed as a result of intermolecular interaction between MPP and terpolymer’s chains; the possibility of the formation of hydrogen bonds between the donors of the electrons of terpolymer units and the proton donors of the MPP molecule was shown. Using the MTT test, it was established that copolymers of various compositions are low toxic for non-tumor Vero cells and HeLa tumor cells. It was shown that the cytotoxicity of polymer particles loaded with MPP for FetMSC and HeLa cells increased. Using fluorescence microscopy, the accumulation and distribution of polymer particles in non-tumor (FetMSC) and tumor (HeLa) cells was studied and an increase in the accumulation of MPP with both types of particles was shown.

Pigs are a social species and they stablish hierarchies for a better use of resources and to reduce conflicts. However, in pig production, the opportunities for growing can differ in dominant and subordinate animals. In the present study a system was tested to perform a Dominance versus Subordinate test in growing pigs to investigate how the hierarchy affects feeding behaviour, growth and gut microbiota assessed in faeces. 64 animals housed in eight different pens were used, with four castrated males and four females in each one, weighing 18kg at arrival and maintained during the whole growing period, until 140 kg. Three stool samplings were obtained from the animals directly from the anus to avoid contamination of the faeces on 58, 100 and 133 days after the start of the study to investigate the microbiota composition. The dominant animals had higher gains during the growing period that the subordinate. In addition, they were performing more visits to the feeder throughout the day. Differential abundance patterns were observed in five bacterial genera, Oliverpabstia, Peptococcus, and Faecalbacterium being more abundant in dominant animals and Holdemanella and Acetitomaculum being overrepresented in subordinate ones. This microbial biomarker accurately classified dominant versus subordinate groups of samples with an AUC of 0.92.

Background: Though ancient Greece preserves many pictures of combat sports, there is research in terms of biomechanics on the principles of human motion. This research aimed to investigate Pankration postures of ancient Greek athletics, expecting to bridge the gap between historical sports practices and contemporary biomechanical applications. Methods: This study employed computational tools to analyze two images from ancient Greek Pankration, constructing a static multi-segmental model. Anthropometric models simulated postures analogous to those in historical depictions. Analysis estimated joint forces and moments, along with weight distribution and ground reaction forces for these postures. Implications for training and strength development were deduced through integration with modern scientific insights. Moreover, strategic elements of these postures were assessed using game theory to explore their correspondence with contemporary theoretical constructs. Results: The findings indicated that static postures facilitate the development of tendon stiffness, joint stability, and neuromuscular control. In the "readiness" posture, 68% of the athlete's centre of gravity (CoG) was distributed to the hind leg, enhancing stability and power generation, while the front leg promoted agility. Analysis of the kick posture revealed delivery with a dorsiflexed ankle and pronounced heel protrusion.Conclusion: The application of the proposed model suggests that ancient athletes optimized their performance using biomechanical principles, thereby gaining a competitive advantage. This study highlights the value of integrating ancient biomechanical strategies with contemporary athletic training and injury prevention, advocating for a synthesis of historical practices and modern biomechanical analysis in combat sports.

The reaction of berberine derivatives containing at O-9 position N,N-disubstituted acetamide fragments with sodium borohydride in methanol at 0 °C leads to a mild reduction of the "C" cycle with the formation of corresponding tetrahydroberberine derivatives with moderate to good yields.

The acylation of unsymmetrical N-benzylbispidinols in aromatic solvents without external base led to formation of supramolecular gels, which possess different thickness and stability depending on the substituents in para-positions of benzylic group and nature of acylating agent as well as on the nature of the solvent used. Structural features of the native gels as well as of their dried forms were studied by complementary techniques including FT IR- and ATR-spectroscopy, AFM, TEM, SEM, SAXS. Structures of the key crystalline compounds were established by X-ray diffraction. Analysis of obtained data allowed speculating on the crucial structural and condition factors that governed the gel formation. The most important factors were: (i) absence of base, either external or internal; (ii) presence of HCl; (iii) presence of carbonyl and hydroxyl groups to allow hydrogen bonding; (iv) presence of two (hetero)aromatic rings at both sides of the molecule. The hydrogen bonding involving amide carbonyl, hydroxyl at 9th position and, very probably, ammonium N-H+ and Cl- anion appear to be responsible for the formation of infinite molecular chains required for the first step of gel formation. Subsequent lateral cooperation of molecular chains into fibers occured, presumably, due to the aromatic pi-pi-stacking interactions. sc-CO2 drying of the gels gave rise to aerogels morphology different from that of air dried samples.

Herein, two title compounds, N-Benzoyl-N’-4-cyanophenyl thiourea (I) and N-(4-nitrobenzoyl)-N’-4-cyanophenyl thiourea (II) were synthesized in high yield, via aroyl isocyanate and 4-aminobenzonitrile. The structure of the prepared compounds was characterized by elementary analysis and FT-IR, ¹H, ¹³C NMR spectroscopic methods. Cyclic voltammetric (CV) experiments were performed with glassy carbon electrode. The reduction potential values of different functional group such as nitro, cyano in title compounds were investigated using CV curves.

A gold(I) complex with a triphenylphosphine and a monodentate N,N-dimethyldithiocarbamate ligand was synthesized and characterized by Raman spectroscopy and single crystal X-ray diffraction. DFT calculations (Gaussian 09, PBE1PBE/Lanl2dz) were undertaken for a single complex in the gas-phase. The DFT-optimized structure is in good agreement with the crystal structure and the DFT-calculated Raman spectrum also is in excellent agreement with the experimental spectrum. Assignments of the Raman peaks are based on these DFT calculations. Frontier molecular orbitals were calculated and their nature is discussed.

This literature review provides an in-depth exploration of the research conducted on the investigation and measurement of residual stress (RS) in Wire Arc Additive Manufacturing (WAAM) products, particularly focusing on how process parameters influence the phenomenon. RS plays a crucial role in determining the mechanical behavior and structural integrity of WAAM components. This review article gives an understanding of the relationship between process parameters and RS to optimize the WAAM processes and ensure the durability of the final products. It also summarizes key findings, measurement techniques, challenges, and future directions in this evolving field. The review also analyzes a measurement of RS in the products of WAAM as a function of process parameters depending on examining various research studies, techniques, and methodologies employed in their studies. Experimental measuring techniques and numerical analysis of RS to determine the impacts of RS in mechanical response in products of WAAM were discussed. By offering a comprehensive overview of current research trends and insights, this review serves as a valuable resource to guide future investigations, fostering the advancement of WAAM as a robust and efficient manufacturing technology.

Nanoporous membranes promise energy-efficient water desalination. Hexagonal boron nitride (h-BN), like graphene, exhibits outstanding physical and chemical properties, making it a promising candidate for water treatment. We employed Car–Parrinello molecular dynamics simulations to establish accurate modeling of Na+ and Cl- permeation through hydrogen passivated nanopores in graphene and h-BN membranes. In these complex systems the classical potentials cannot properly account for the physics at play. We demonstrate that ion separation works well for the h-BN by imposing a barrier of 0.13 eV and 0.24 eV for Na+ and Cl- permeation respectively, compared to the graphene where the Cl- ion faces a negative barrier of 0.68 eV and is prone toward blockade and Na+ permeation is associated with a slightly negative barrier of 0.03 eV. From the change in the solvation shell, we get the following trend: Na/h-BN > Na/G > Cl/G > Cl/h-BN. We argue that the trend in the permeation barrier changes to Cl-h-BN > Na-h-BN > Na-G > Cl-G due to a combination of several interactions, including the distortion of the water network induced by the ions, the ion-water interaction, and the ion-nanopore interaction. Overall, the desalination performance of h-BN surpasses that of their graphene counterparts.

A convenient and efficient strategy for the preparation of 2-sulfonylindoles has been achieved through iodophor/H2O2-mediated 2-sulfonylation of indoles with readily available sulfonyl hydrazides in aqueous phase. Iodophor is commercially available and serves as the green catalyst and aqueous phase. A series of 2-sulfonylated products from indoles and N-methylpyrrole were synthesized in moderate yields in only 10 min. Control experiments were also conducted to reveal the mechanism. This method is environment friendly, easy to operate and suitable for a wide range of substrates.

OBJECTIVES: To assess the predictive value of serum trypsin and Trypsinogen Activation Peptide (TAP) for the severity of AP by means of a single center cohort study as well as a systematic review of the current literature. METHODS: The literature search was conducted using Medline (PubMed), EMBASE and the Cochrane Central Register. A total of 142 patients with acute pancreatitis (AP) were included in the cohort study and parameters of the revised Atlanta criteria of 2012 and the APACHE II were assessed. RESULTS: The review showed promising results for the predictive value of serum trypsinogen-2, but conflicting results for serum TAP and trypsin. In the cohort study, patients were observed for 4 days after diagnosis of AP: 9 patients had severe AP, 35 patients had moderate AP and 81 patients had mild AP. The ratio of the geometric mean of severe vs mild AP for trypsin was 0.72 (95% CI: 0.51-1.00), p=0.053 and for TAP 0.74 (95% CI: 0.54-1.01), p=0.055 respectively. CONCLUSION: The cohort study showed an inverse correlation of serum levels of TAP and trypsin with severity of AP. Serum TAP and trypsin have an inferior predictive value of severity of AP compared to the clinical APACHE II score.

In the concept of the process signature, the relationship between a material load and the modification remaining in the workpiece is used to better understand and optimize manufacturing processes. The basic prerequisite for this is to be able to measure the loads occurring during the machining process in the form of mechanical deformations. Speckle photography is suitable for this in-process measurement task and is already used in a variety of ways for in-plane deformation measurements. The shortcoming of this fast and robust measurement technique based on image correlation techniques is that out-of-plane deformations in the direction of the measurement system cannot be detected and increases the measurement error of in-plane deformations. In this paper, we investigate a method that infers local out-of-plane motions of the workpiece surface from the decorrelation of speckle patterns and is thus able to reconstruct three-dimensional deformation fields. The implementation of the evaluation method enables a fast reconstruction of 3D deformation fields, so that the in-process capability remains given. First measurements in a deep rolling process show that dynamic deformations underneath the die can be captured and demonstrate the suitability of the speckle method for manufacturing process analysis.

(1) Background: The diagnosis of lumbosacral radiculopathy involves anamnesis, assessment of sensitivity and strength, diagnostic imaging—usually magnetic resonance imaging (MRI)—and electrodiagnostic testing (EDX), typically electromyography (EMG) and electroneurography (ENG). MRI evaluates the structures supporting the spinal cord, while EDX evaluates root functionality. The present study aimed to analyze the concordance of MRI and EDX findings in patients with clinically suspected radiculopathy. Additionally, we investigated the comparison between these two reference tests and various clinical variables and questionnaires. (2) Methods: We designed a prospective epidemiological study of consecutive cases with an observational, descriptive, cross-sectional, and double-blind nature following the STROBE guidelines, encompassing 142 patients with clinical suspicion of lumbosacral radiculopathy. (3) Results: Of the sample, 58.5% tested positive for radiculopathy using EDX as the reference test, while 45.8% tested positive using MRI. The comparison between MRI and EDX in the diagnosis of radiculopathy in patients with clinical suspicion was not significant; the overall agreement was 40.8%. Only the years with symptoms were comparatively significant between the positive and negative radiculopathy groups as determined by EDX. (4) Conclusion: The comparison between lumbar radiculopathy diagnoses in patients with clinically suspected pathology using MRI and EDX as diagnostic modalities did not yield statistically significant findings. MRI and EDX are complementary tests assessing different aspects in patients with suspected radiculopathy; degeneration of the structures supporting the spinal cord does not necessarily imply root dysfunction.

We demonstrate that the conductivity of graphene on thin-film polymer substrates can be accurately determined by reflection-mode air-plasma-based THz time-domain spectroscopy (THz-TDS). The phase uncertainty issue associated with reflection measurements is discussed, and our implementation is validated by convincing agreement with graphene electrical properties extracted from more conventional transmission-mode measurements. Both the reflection and transmission THz-TDS measurements reveal strong nonlinear and instantaneous conductivity depletion across an ultra-broad bandwidth under relatively high incident THz electrical field strengths.

The aim of this work was to classify the business incubators in Spain according to the four phases of startups incubation. Taking into account that the graduation rate implies greater survival and business success of the incubated companies, they have been identified at each stage of the incubation (spread of entrepreneurship, pre-incubation, advanced incubation, and graduation). The activities that present higher impacts on the success of the incubated companies and the activities carried out by the incubator that have a greater relevance on the graduation of the companies have concretely been considered. Principal component (PC) cluster analysis have been applied. All the incubation variables were used simultaneously, reducing their number, and grouping them into factors, finally the cases were grouped according to these latent variables. Principal components analysis reduced dimensionality to 8 factors with a 74 % of explained variance. Factor 1 was positively related to pre-incubation variables, factor 2 was linked to training and collaboration variables within the entrepreneurship diffusion phase. Factor 3 called activity monitoring and control and was related to phase 3 or basic incubation variables. Clusters analysis facilitates the grouping of incubators into three clusters: Group 1 (16 % of the total), incubators with strong deficits in incubation phases 1, 2 and 3. They are small Business Incubators, often located in rural areas or cities and low graduation rate. Group 2 (30 %), business incubators with very high graduation rate, and strongly positive values in factor 1 and 2. Factor 3 although positive is susceptible to improvement. They are the largest incubators and usually located in industrial and technological parks. Group 3 (54 %) is the majority, with values close to cluster 2 and 3.

Microgrid is one of the promising green transition technologies that will provide enormous benefit to the seaport, as a solution to the major concerns in this sector, namely energy crisis, economical and environmental pollution. However, finest design of the microgrid is a challenging task considering different objectives, constraints and uncertainties involved. To ensure the optimal operation of the system, determining the right configuration framework and size for each component in the seaport microgrid at the minimum cost is a vital decision at the design stage. This paper aims to design a hybrid system of seaport microgrid with optimally sized component .The selected case study is the Port of Aalborg, Denmark. The proposed grid-connected structure consists of renewable energy sources (photovoltaic system and wind turbines), an energy storage system and cold ironing as seaport’ loads. The architecture is then optimized by utilizing HOMER to meet the maximum load demand by considering a few parameters such as solar global horizontal irradiance, temperature and wind resources. Then, the best configuration framework is analyzed in terms of economic feasibility, energy reliability and environmental impact.

In polymer-based dental composites, wear is a three-body wear system mainly abrasive, because of the food particles and wear products suspended in the oral cavity, which are transferred to the microcavities of the surface of the replacements. Due to this fact, the incorporation of nanodiamond as reinforcement in these polymer matrix composites, which promotes the creation of a solid lubricant tribofilm surface could be advantageous. When nanodiamond is added in contents of 0.8, 1.6 and 3.2 wt %, an increase in microhardness from 95 up to 420 %, compared to the one of neat BisGMA/TEGDMA, is observed. Additionally, the incorporation of a content of 1.6 wt % is enough to cause a diminution of ~78 % in the friction coefficient and a reduction of the specific wear rate and Archard’s coefficient of ~50 %. Nevertheless, the addition of relatively high contents reduces the effectiveness of photoinitiation and UV-curing, which is related to the scattering and absorption of UV radiation by ND.

The main characteristic of polycystic kidney disease is the development of multiple fluid filled renal cysts. The discovery of mislocated Na,K-ATPase in the apical membrane of cyst lining epithelia alluded to a reversal of polarity as a possible explanation to the fluid secretion. The topic of apical Na,K-ATPase in cysts remains controversial. We investigated the localization of the Na,K-ATPase and assessed the apical-basolateral polarization of cyst lining epithelia by means of immunohistochemistry in kidney tissue from six polycystic kidney disease patients undergoing nephrectomy. The Na,K-ATPase α1 subunit was conventionally situated in the basolateral membrane of all immunoreactive cysts. Proteins of the Crumbs and partitioning defective (Par) complexes were localized to the apical membrane domain in cyst epithelial cells. The apical t-SNARE protein Syntaxin-3 also immunolocalized to the apical domain of cyst lining epithelial cells. Proteins of the basolateral Scribble complex immunolocalized to the basolateral domain of cysts. Furthermore, we confirmed that cysts can originate from virtually any tubular segment with preserved polarity. In conclusion, we find no evidence of a reversal in apical-basolateral polarity in cyst lining epithelia in polycystic kidney disease.

Objectives: To assess the short-term impact of a single global stretching session on plantar pressures and lumbar range of motion (RoM) over one week in sedentary university students. Design: A randomised controlled trial with two parallel groups. Participants: Sixty-four university students were randomly assigned to a stretching group or control group. The stretching group received a single session of global stretching and the control group remained seated for the same length of time as the stretching session. Main outcome measures: Lumbar RoM and plantar pressures were assessed before, immediately after, 48 hours after, and 7 days after intervention. Results: Group-by-time interaction was significant for lumbar lateral flexion (p = 0.044), right maximal pressure (p = 0.003), left maximal pressure (p = 0.008), right mean pressure (p = 0.025), left mean pressure (p = 0.002), and maximal pressure minus mean pressure in right foot (p = 0.007). The model with plantar pressures showed a significant difference for group-by-time interaction (p = 0.010).Conclusion: Global stretching seems to counteract the ill-effects of prolonged sitting up to seven days with respect to plantar pressure in standing without improving lumbar ROM

Metal-catalyzed lipid oxidation is a major factor in food waste, as it reduces shelf life. Addressing this issue, our study investigates the potential of hydrolysates derived from potato protein, a by-product of potato starch production, as metal chelating antioxidants. Through sequential enzymatic hydrolysis using Alcalase or Trypsin combined with Flavourzyme, we produced various hydrolysates, which were then fractionated via ultrafiltration. Using a combination of peptidomics and bioinformatics, we predicted the presence of metal-chelating and free radical scavenging peptides across all hydrolysate fractions, with a trend indicating a higher content of antioxidant peptides in lower molecular weight fractions. To validate these predictions, we utilized Surface Plasmon Resonance (SPR) and a 9-day emulsion storage experiment. While SPR demonstrated potential in identifying antioxidant activity, it faced challenges in differentiating between hydrolysate fractions due to significant standard errors. In the storage experiment, all hydrolysates showed lipid oxidation inhibition, though not as effectively as EDTA. Remarkably, one fraction (AF13) was not significantly different (p < 0.05) from EDTA in suppressing hexanal formation. These results highlight SPR and peptidomics/bioinformatics as promising yet limited methods for antioxidant screening. Importantly, this study reveals the potential of potato protein hydrolysates as antioxidants in food products, warranting further research.

Hybrid Renewable Energy Systems (HRES) integrate renewable sources, storage, and optionally conventional energies, offering an eco-friendly solution to fossil fuels. Microgrids (MGs) bolster HRES integration, enhancing energy management, resilience, and reliability at various levels. This study, emphasizing the need for refined optimization methods, investigates three themes: renewable energy, microgrid, and multiobjective optimization (MOO), through a bibliometric analysis of 470 Scopus documents from 2010-2023, analyzed with SciMAT software. It segments the research into two periods, 2010-2019 and 2020-2023, revealing a surge in MOO focus, especially in the latter period, with a 35% increase in MOO-related research. This indicates a shift towards com-prehensive energy ecosystem management that balances environmental, technical, and economic elements. The initial focus on MOO, genetic algorithms, and energy management systems has expanded to include smart grids and electric power systems, with MOO remaining a primary theme in the second period. The increased application of Artificial Intelligence (AI) in optimizing HMGS within the MOO framework signals a move towards more sustainable, intelligent energy solutions. Despite progress, challenges remain, including high battery costs, the need for reliable MOO data, the intermittency of renewable energy sources, and HMGS network scalability issues, highlighting directions for future research.

The agronomic characteristics of Cenchrus purpureus were assessed through a randomized block experimental design with seven accessions (Taiwan grass, King grass, Elephant grass, Merkeron, CT-115, Purpule grass and Maralfalfa) as treatments and four replications research was carried out at the Instituto Tecnológico Superior de Tantoyuca, in 2019 and 2020, under rainfed conditions. Sowing density was established at 36 tillers in 25 m2. Green and dry matter yield, daily rates of dry matter accumulation in leaves, leaf/stem ratio, height, leaf area index and cutting frequency were assessed. Rainfall amount, temperature, relative humidity and global radiation levels were recorded to assess their effect on the evaluated variables. One-way ANOVA and multivariate analysis techniques, such as multiple linear regression (MLR), Clustering, and Principal component analysis (PCA) with the Statistica V7 software, were used. The leaf area index was greatest (p &lt; 0.05) on the dry season. Green and dry matter yield were greatest in Maralfalfa (p &lt; 0.05). Variation in the results is attributed to weather phenomena; nonetheless, Elephant grass and Maralfalfa showed the highest yields. Quality parameters must be evaluated to identify those grasses with the best attributes.

Starting with BitTorrent and then Bitcoin, decentralized technologies have been on the rise over the last 15+ years, gaining significant momentum in the last 2+ years with the advent of platform ecosystems such as the Blockchain platform Ethereum. New projects have evolved from decentralized games to marketplaces to open funding models to decentralized autonomous organizations. The hype around cryptocurrency and the valuation of innovative projects drove the market cap of cryptocurrencies to over a trillion dollars at one point in 2017. These high valued technologies are now enabling something new: globally scaled, decentralized business models. Despite their valuation and the hype, these new business ecosystems are frail. This is not only because the underlying technology is rapidly evolving, but also because competitive markets see a profit opportunity in exponential cryptocurrency returns. This extracts value from these ecosystems, which could lead to their collapse, if unchecked. In this paper, we explore novel ways for decentralized economies to protect themselves from, and coexist with competitive markets at a global scale utilizing decentralized technologies such as Blockchain.

A second order rational difference equation $$x_{n+1}=px_{n}+\frac{q}{x_{n-1}^2}$$ with the parameters $p$ and $q$ which lies in $(0,1)$, is studied. The dynamics of the equilibrium is characterized through the trichotomy of the parameter $p<\frac{1}{2}$, $p=\frac{1}{2}$ and $p>\frac{1}{2}$. It is found that there is no periodic solution of period $2$ and $3$ but there exists periodic solutions with only periodic solution $5$ and $10$ are achieved computationally.

This study provides an in-depth review of the available literature on metal composite material machining, focusing on traditional machining operations such as turning, milling, shaping, drilling, and grinding. The motivation for the study is that this composite type has emerged as a vital material in applications requiring functionality, resilience, cost-effective operation, low consumption of energy and lightweight. Despite its superior characteristics, the manufacturing complexity and poor machinability of metal matrix composites have been the primary barriers to its adoption. Nevertheless, there is a reduction of exceptional efficiency, increase in surface roughness, tool wear and so on in metal matrix composites throughout machining. As a result, this review gives a comprehensive investigation of metal matrix composite machining and effect on process parameters and procedures. Furthermore, this study distinguishes metal matrix composites towards sustainable manufacturing and the metals employed by the researchers, as well as the gaps discovered for future recommendations in metal-based composites.

Alternative fertilizations are essential to minimize the deteriorating effects of chemical fertilizers on soil and water quality/health. Accordingly, the present work investigated the effects of combined organic-inorganic fertilization (COIF) on wheat and rice yields, soil nutrients, and soil Cd accumulation. Hence, seven different treatments were set up: control (CK); conventional fertilization (CF); optimized fertilization (OF); organic fertilizer replacing 25% (T1) and 50% (T2) of OF; and organic nitrogen (N) replacing 25% (M1) and 50% (M2) of OF-N. Overall, significant increases occurred in the yields of COIF crops. Compared with the CF, the highest wheat and rice yields happened in M1 treatment (approximately by18.5%) (P &lt; 0.05). COIF slightly alleviated soil acidification, and improved the cation exchange capacity (CEC) of the study soils. Besides, COIF treatments significantly increased the contents of total phosphorus, total potassium, available phosphorus, and available potassium by 6.35 to 16.9 %, 3.17 to 10.9 %, 5.53 to 28.7 %, and 2.6 to 12 %, respectively (P &lt;0.05). Nevertheless, negligible increases took place in Cd content of COIF soils compared with the CK. Altogether, our results concluded on 25% replacement of OF-N by organic N (M1) to effectively improve the fertility/ecological sustainability of the study soils.

Oilseed plants of the Brassicaceae plant family are cultivated for food, feed and industrial purposes on large-scale in Europe. This review gives an overview of current market-oriented applications of new genomic techniques (NGTs) in relevant Brassicaceae oilseed crops based on a literature survey. In this respect, changes in oil quality, yield, growth and resistance to biotic and abiotic stress are goals in oilseed rape (B. napus) and camelina (C. sativa). Environmental risk assessment scenarios are developed for specific NGT applications in Brassicaceae oilseed crops with either a changed oil composition or with fitness related traits. In case of a changed oil composition an increase or decrease of polyunsaturated fatty acids (PUFA) demonstrates risks for health and survival of pollinators. In case of fitness related traits other risks were identified, i. e. an increased risk of spread and persistence of NGT plants. Furthermore, there are indications for potential disturbance of interactions with the environment, involving signalling pathways and reaction to stress conditions. It is shown that for a comprehensive risk assessment the technological potential of NGTs, the plants’ biology and the scale of releases have to be considered in combination. Therefore, the release of NGT plants into the environment for agricultural purposes will require risk assessment and monitoring of single traits as well as of combinatorial and long-term cumulative effects. In addition, risk management should develop concepts and measures to control and potentially restrict the scale of releases. This is especially relevant for NGT Brassicaceae in Europe which is a centre of diversity of this plant family.

The construction industry has a notable negative impact on the environment; thus, the promotion of the use of timber structures is an alternative to mitigate its effects. The research develops an artificial intelligence-based decision approach in the calculation of timber structures focused on the enhancement of the sustainability of roof structures. Based on the optimization carried out through genetic algorithms and the framework established in Eurocode 5, a general set of equations has been proposed for a laminated timber roof structure. The tool, which determines the most suitable roof structure for each strength class of laminated timber, allows for the determination of the dimensions of beams and purlins and their respective separations in order to minimize wood consumption. The ultimate goal is to offer multiple solutions regarding strength classes and structural designs in order to foster informed sustainable choices that promote efficient use of resources in construction.

Recently, it was reported that the physical cross-linking exhibited by some biopolymers could provide multiple benefits to biomedical applications. In particular, grafting thermoresponsive polymers onto biopolymers may enhance the degradability or offer other features, as ther-mothickening behavior. Thus, different interactions will affect the different hydrogen bonds and interactions from the physical cross-linking of CMC, the lower critical solution temperatures (LCSTs), and the presence of the ions. This work focuses on the study of blends composed of poly(N-isopropylacrylamide), poly(N-ethylacrylamide), and carboxymethyl cellulose in water and water/methanol. The molecular features, the thermoresponsive behavior, and gelation phenomena are deeply studied. The ratio defined by both homopolymers will alter the final properties and the gelation of the final structures, showing that the presence of the hydrophilic groups modifies the number and contributions of the diverse hydrogen bonds.

This paper investigates pseudo-polymorphism in 2-pyridylmethoxy derivatives of p-tert-butylcalix[4]arene (PyC4), p-tert-butyldihomooxa-calix[4]arenes (PyHOC4), and p-tert-butylhexahomotrioxacalix[3]arenes (PyHO3C3), presenting 11 crystal structures with 15 crystallographically independent molecules. The macrocycle of PyC4 is smaller and less flexible with respect to those of PyHOC4 and PyHO3C3 and in solution, the cone conformation of these three molecules exhibit different point symmetries: C4, Cs and C3, respectively. A correlation is observed between the macrocycle's structural rigidity and the number of pseudo-polymorphs formed. The more rigid PyC4 displays a higher number (6) of pseudo-polymorphs compared to PyHOC4 and PyHO3C3, which exhibit a smaller number of crystalline forms (3 and 2, respectively). The X-ray structures obtained show that the conformation of the macrorings is primarily influenced by the presence of an acetonitrile guest molecule within the cavity, with limited impact from crystal packing and intermolecular cocrystallized solvent molecules. Notably, both calix[4]arene derivatives produce host-guest complex with acetonitrile, while the most flexible and less aromatic PyHO3C3 do not give crystals with acetonitrile as guest. Intertwined 1D and 2D solvent channel networks were observed in the PyHOC4-hexane and in the PyHO3C3-H2O-MeOH crystal structures, respectively, while the other pseudopolymorphs of PyHOC4 and PyHO3C3 and all PyC4 crystal forms exhibit a closely packed crystal structures without open channels.

A series of dinuclear copper(I) N,C,N- and P,C,P-carbodiphosphorane (CDP) complexes using multidentate ligands CDP(Py)2 (1) and (CDP(CH2PPh2)2 (13) have been isolated and characterized. Detailed structural information was gained by single crystal XRD analyses of nine representative examples. The common structural motive is the central double ylidic carbon atom with its characteristic two lone-pairs involved into binding of two geminal L-Cu(I) fragments at Cu-Cu distances in the range 2.55 – 2.67 Å. In order to enhance conformational rigidity within the characteristic Cu-C-Cu triangle, two types of chelating side arms were symmetrically attached to each phosphorus atom: two 2-pyridyl functions in ligand CDP(Py)2 (1) and its dinuclear copper complexes 2-9 and 11, as well as two diphenylphosphinomethylene functions in ligand CDP(CH2PPh2)2 (13) and its di- and mononuclear complexes 14-18. Neutral complexes were typically obtained via reaction of 1 with Cu(I) species CuCl, CuI, and CuSPh or via salt elimination reaction of [(CuCl)2(CDP(Py)2] (2) with sodium carbazolate. Cationic Cu(I) complexes were prepared upon treating 1 with two equivalents of [Cu(NCMe)4]PF6, followed by the addition of either two equivalent of an aryl phosphine (PPh3, P(C6H4OMe)3) or one equivalent of a bisphosphine ligands DPEPhos, XantPhos or dppf. For the first time carbodiphosphorane CDP(CH2PPh2)2 (13) could be isolated upon treating its precursor [CH(dppm)2]Cl (12) with NaNH2 in liquid NH3. A protonated and a deprotonated derivative of ligand 13 were prepared and their coordination was compared to neutral CDP ligand 13. NMR analysis and DFT calculations reveal, that the most stable tautomer of 13 does not show a CDP (or carbone) structure in its uncoordinated base form. For most of the prepared complexes, photoluminescence upon irradiation with UV light at room temperature was observed. Quantum yields (PL) were determined to 36% for dicationic [(CuPPh3)2(CDP(Py)2)](PF6)2 (4) and to 60% for neutral [(CuSPh)2(CDP(CH2PPh2)2] (16).

This paper analyses the application of deep learning techniques for predicting wave overtopping events in port environments using sea state and weather forecasts as inputs. The study was conducted in the outer port of Punta Langosteira, A Coruña, Spain. A video recording infrastructure was installed to monitor overtopping events from 2015 to 2022, identifying 3709 overtopping events. The data collected was merged with actual and predicted data for the sea state and weather conditions during the overtopping events, creating three datasets. We used these datasets to create several machine learning models to predict whether an overtopping event would occur based on sea state and weather conditions. The final models achieved a high accuracy level during the training and testing stages: 0.81, 0.73, and 0.84 average accuracy during training and 0.67, 0.48, and 0.86 average accuracy during testing, respectively. The results of this study have significant implications for port safety and efficiency, as wave overtopping events can cause disruptions and potential damage. Using deep learning techniques for overtopping prediction can help port managers take preventative measures and optimize operations, ultimately improving safety and helping to minimize the economic impact that overtopping events have on the port's activities.

Background. Transferrin receptor 1 (TfR1), glucose transporter 1 (GLUT1), and CD98hc are candidates for targeted therapy at the blood-brain barrier (BBB). Our objective was to challenge the expression of TfR1, GLUT1, and CD98hc in brain capillaries by the histone deacetylase inhibitor (HDACi) valproic acid (VPA). Methods. Primary mouse brain capillary endothelial cells (BCECs) and brain capillaries isolated from mice injected intraperitoneally with VPA were examined using RT-qPCR and ELISA. Targeting to the BBB was performed by injecting monoclonal anti-TfR1 (Ri7217)-conjugated gold nanoparticles measured using ICP-MS. Results. In BCECs co-cultured with glial cells, Tfrc mRNA expression was significantly higher after 6 h VPA returning to baseline after 24 h. In vivo Glut1 mRNA expression was significantly higher in males, but not females', receiving VPA, whereas Cd98hc mRNA expression was unaffected by VPA. TfR1 increased significantly in vivo after VPA, whereas GLUT1 and CD98hc were unchanged. Uptake of anti-TfR1-conjugated nanoparticles was unaltered by VPA in spite upregulated TfR expression. Conclusions. VPA upregulates TfR1 in brain endothelium in vivo and in vitro. VPA does not increase GLUT1 and CD98hc proteins. The increase in TfR1 does not result in higher anti-TfR1 antibody targetability, suggesting targeting sufficiently occurs with available transferrin receptors without further contribution from accessory VPA-induced TfR1.

N-(diisopropylphosphanyl)benzamide, PhC(O)NHPiPr2, has been synthesized in good yield following two alternative procedures that employ benzamide as the starting material. The first one is a two-step preparation, in which N-(trimetilsilyl)benzamide is reacted with PiPr2Cl, to give the title compound in good yield, whereas the second one is a straightforward synthesis which converts benzamide into N-(diisopropylphosphanyl)benzamide by reaction with PiPr2Cl in the presence of N,N-dimethylpyridin-4-amine (DMAP) and triethylamine. NMR spectroscopy and X-ray diffraction analyses have been performed to characterize the new compound and elucidate its molecular structure in the solid state. N-(diisopropylphosphanyl)benzamide adds to the limited family of amido-substituted phosphines, RC(O)NHPR’2, which can be classified as bidentate hybrid P,O-ligands, both in their neutral and anionic forms, the latter achievable by deprotonation of the NH group.

In no-tillage systems, there is an accumulation of crop residues (CR) which plays an important role in available of soil-N. A study was set up to provide information regarding the CR N credit, and the influence of N mineral fertilizer. An incubation was run in a loam soil with addition of a similar rate of residue (10 Mg ha-1; sugarcane, soybean, and brachiaria) and N mineral fertilizer (urea; 120 kg N ha-1). After the stabilization of biological activity, soil and remaining residues were collected, and N monitored. Results showed that the N credit was positive with application of soybean, sugarcane, and brachiaria. There was an expressive performance of soybean N credit represented by a positive balance, and a reduction from 2.49 to 0.9 g kg-1 of N in residue, with direct increase of 90% of soil-N. There is no need of N fertilizer to potentialize the soybean N credit, but it is requested to potentialize N credit of brachiaria and sugarcane. The urea demonstrated be a good enhancer of brachiaria N credit, but it was not adequate to sugarcane residues. Based in our result, the accumulation and incorporation of CR can be considered as a N credit with positive contribution in soil-N.

Recently, there has been remarkable progress in the development of smart textiles, especially knitted strain sensors, to achieve reliable sensor signals. Stable and reliable electro-mechanical properties of sensors are essential for using textile-based sensors in medical applications. How-ever, challenges associated with significant hysteresis and low gauge factor (GF) values remain for using strain sensors for motion capture. To evaluate these issues, a comprehensive investiga-tion of the cyclic electro-mechanical properties of weft-knitted strain sensors was conducted in the present study to develop a drift-free elastic strain sensor with a robust sensor signal for mo-tion capture for medical devices. Several variables were considered in the study, including the variation of the basic knit pattern, the incorporation of the electrically conductive yarn, and the size of the strain sensor. The effectiveness and feasibility of the developed knitted strain sensors are demonstrated through experimental evaluation, by determining the gauge factor, its non-linearity, hysteresis and drift. The developed knitted piezoresistive strain sensors have a GF of 2.4, a calculated drift of 50 %, 12,5 % hysteresis, and 0.3 % nonlinearity in parts.

This study compared the efficacy of alfaxalone and propofol to induce anesthesia in bitches undergoing an ovariohysterectomy or cesarean sections. 34 healthy and pyometra-affected females were induced with IV propofol administration, 35 healthy and pyometra-affected bitches were induced with the IV administration of alfaxalone. For the cesarean sections, females were induced with propofol (n=14) or alfaxalone (n=14). Maternal physiological parameters (heart rate, blood pressure, temperature) were recorded throughout surgeries; the viability and a modified Apgar score was recorded in the neonates at 5, 60 and 120 minutes after delivery. The use of propofol and alfaxalone did not show relevant differences over parameters assessed, when ovariohysterectomy was performed in healthy bitches or females with pyometra, as well as when cesarean sections were compared; only, a transient tachycardia appeared after alfaxalone administration. However, a higher percentage of bitches needed extra-doses of propofol. Neonatal mortality was similar between both groups, but when alfaxalone was used a higher neonatal viability was observed. Propofol and alfaxalone showed similar efficacy to perform the ovariohysterectomy in all bitches. Both protocols were optimal for cesarean sections, but alfaxalone was associated with a higher neonatal viability and a higher neonatal survival rate.

I propose a new strategy to suppress human cancer completely with two entirely new drug compounds exploiting cancer's Warburg effect characterized by a defective mitochondrial aerobic respiration, substituted for by cytosolic aerobic fermentation/glycolysis of D-(+)-glucose into L-(+)-lactic acid. The two essentially new drugs compound 1 [P(op)T(est)162] and compound 3 (PT167) represent new highly symmetric, four-bladed propeller-shaped polyammonium cations. The in vitro antineoplastic highly efficacious drug compound 3 represents a covalent combination of compound 1 and compound 2 (PT166). The intermediate drug compound 2 is an entirely new colchic(in)oid derivative synthesized from colchicine. Compound 2's structure was determined by X-ray crystallography. Compound 1 and compound 3 were active in vitro versus 60 human cancer cell lines of the National Cancer Institute (NCI) Developmental Therapeutics Program (DTP) 60-cancer cell testing. Compound 1 and compound 3 both not only stop the growth of cancer cells to ±0% (cancerostatic effect), but completely kill nearly all 60 cancer cells to a level of almost −100% (tumoricidal effect). Compound 1 and compound 3 induce mitochondrial apoptosis (under cytochrome c release) in all cancer cells tested by (re)activating (in most cancers impaired) p53 function which results in a decrease of cancer's dysregulated cyclin D1 and an induction of the cell cycle-halting cyclin-dependent kinase inhibitor p21^Waf1/p21^Cip1.

Background: Oxygen exists in two gaseous (dioxygen and ozone) and six solid allotropic modifications. An additional allotropic modification of oxygen, the cyclooctaoxygen, was predicted to exist in 1990. The first synthesis and characterization of cyclooctaoxygen as its sodium crown complex, isolated in the form of three cytosine nucleoside hydrochloride complexes, was reported in 2016.Results: The sperminium hydrogen phosphate/cyclooctaoxygen sodium complex is calculated to cover the actively transcribed regions (2.6%) of bovine lymphocyte interphase genome. Cyclooctaoxygen seems to be naturally absent in hypoxia-induced highly condensed chromatin, taken as a model for eukaryotic metaphase/anaphase/early telophase mitotic chromatin. Hence, it is proposed that the cyclooctaoxygen sodium-bridged sperminium hydrogen phosphate and selenite coverage serves as an epigenetic shell of actively transcribed gene regions in eukaryotic ‘open’ euchromatin DNA. Cyclooctaoxygen sodium-bridged sperminium hydrogen selenite was calculated to serve as a marker shell component at ATG start codons in human euchromatin DNA mRNA genes, both at the translation initiation triplet and at 5'-untranslated region upstream ATGs. The total herbicide glyphosate (ROUNDUP®) and its metabolite (aminomethyl)phosphonic acid (AMPA) are proved to represent ‘epigenetic poisons’, since they both selectively destroy the cyclooctaoxygen sodium complex. This definition is of reason, since the destruction of cyclooctaoxygen is certainly sufficient to bring the protection shield of human euchromatin into collateral epigenetic collapse.Conclusions: The total herbicide glyphosate and its environmental metabolite (aminomethyl)phosphonic acid (AMPA) can be associated in vitro with catalytic detoriation of eukaryotic euchromatin genetic information.General Significance: The epigenetic shell of eukaryotic euchromatin is susceptible to decay induced by catalytic epigenetic poisons threatening eukaryotic genomic heritage.

Can a gravitational lens magnify gravity ? The answer to this question is the subject of this article. Light is deflected as it passes through curved spacetime caused by a mass distribution. This phenomenon, known as "gravitational lensing," has been extensively studied and is well understood. According to the general theory of relativity, the same deflection is expected for gravitational waves, because they also propagate at the speed of light. But this applies to gravitational fields as well. Thus, gravitational fields, which extend through curved spacetime, are also deflected correspondingly. This effect is referred to as "Gravitationally Lensed Gravity". It leads to the fact that the gravitational field strength originating from an object in the background of a gravitational lens is enhanced in the same way as its light intensity. If the background object is visible to an observer several times due to the gravitational lens, each of the images also exerts a corresponding gravitational attraction on her ! For the first time, a proof of the existence of this amazing effect is given. In a simple thought experiment the contraction of a spherically symmetric gravitational lens is discussed. The proof is essentially based on Birkhoff's theorem. According to this theorem, during the contraction additional null geodesics between the background object and the observer come into existence. To these null geodesics also contributions to the gravitational field are to be assigned. In the literature, similar descriptions can be found for the gravitational self-interaction of a particle in a curved spacetime background. The article is organized as follows: In the introduction, the historical origin of the idea of the "Gravitationally Lensed Gravity" is briefly outlined. In the second chapter, the subsequently required basic principles and essential features of general relativity are explained. In the third chapter I analyze different arrangements of masses and describe the observations to be expected. The arrangements show step by step the transition from the classical "Newtonian limit" in a flat spacetime background to the "Gravitationally Lensed Gravity" in a curved spacetime background. Due to its clarity, the simple scenario may also serves as a suitable test case for the mathematical methods of general relativity. The concluding outlook provides references to current questions in astrophysics, especially the question of the existence of Dark Matter. Here, the general theory of relativity offers much simpler explanations with the "Gravitationally Lensed Gravity".

A gravitational lens is mass-curved spacetime. Light that propagates freely, locally always on the fastest way, follows curved paths in it. The same applies to all effects propagating with the speed of light, also to gravity itself. They all have to follow the curvature of spacetime. A gravitational lens not only enhances the light from background objects but concurrently also their gravitational effect ! The "Gravitationally Lensed Gravity" (GLG) is a still scarcely noticed peculiar feature of general relativity. In [1] I presented a thought experiment to make the existence of this effect plausible. Here these considerations are described in terms of future and past light cones or null cones commonly used in relativity theory to illustrate the causal structure of spacetime. In the framework of general relativity, the GLG effect can be understood as a consequence of the folding of the past null cone by a gravitational lens. Starting from the basic ideas of the theory, the terms are introduced and applied. The extensive description on textbook level should be understandable also for beginners. In order not to obstruct the view on the essential physical relations, I avoid a mathematical formalism and use instead diagrams and figures, based on realistic numerical calculations, to reinforce my logical argumentation. Experts will recognize many long-known facts, but may still be surprised by the resulting conclusions. First, I present some particular aspects of the historical evolution of the concept of gravitational lensing and give a brief overview of the work of other authors on the subject GLG. I then explain the limitations of the applicability of the "Newtonian Limit" and move on to the key role of the speed of gravity in understanding GLG. Finally, I use a simple example to illustrate the possible significance of the GLG effect. With this work I intend to elicit greater interest in "Gravitationally Lensed Gravity" and to initiate a broader discussion about it.

This paper presents a complete derivation and design of a physics-informed neural network (PINN) applicable to solve initial- and boundary value problems described by linear ordinary differential equations. The objective not to develop a numerical solution procedure which is more accurate and efficient than standard finite element or finite difference based methods, but to give a fully explicit mathematical description of a PINN and to present an application example in the context of hydrodynamic lubrication. It is, however, worth noticing that the PINN developed herein, contrary to FEM and FDM, is a meshless method and that training does not require big data which is typical in machine learning.

The intention of this paper is to point out a remarkable hitherto unknown effect of General Relativity. Starting from fundamental physical principles and phenomena arising from General Relativity, it is demonstrated by a simple Gedankenexperiment that a gravitational lens enhances not only the light intensity of a background object but also its gravitational field strength by the same factor. Thus, multiple images generated by a gravitational lens are not just optical illusions, they also have a gravitational effect at the location of the observer! The "Gravitationally Lensed Gravitation" (GLG) may help to better understand the rotation curves of galaxies since it leads to an enhancement of the gravitational interactions of the stars. Furthermore, it is revealed that besides a redshift of the light of far distant objects, the cosmic expansion also causes a corresponding weakening of their gravitational effects. The explanations are presented entirely without metric representation and tensor formalism. Instead, the behavior of light is used to indicate the effect of spacetime curvature. The gravitation is described by the field strength which is identical to the free fall acceleration. The new results thus obtained provide a reference for future numerical calculations based on the Einstein field equations.

In Nitrate Vulnerable Zones (NVZ) site-specific techniques are needed to match N availability with durum wheat (Triticum turgidum subsp. durum Desf.) requirements. Enhanced-efficiency fertilizers (EEF) can improve efficient N supply and reduce leaching, thus contributing to sustainable agriculture. To study the effects of rates, sources and timings of nitrogen application, two-year field experiments were carried out at two Mediterranean NVZs of Central Italy (Pisa and Arezzo). The trial compared: i) two N rates: one based on the crop N requirements (NO), the other on the Action Programmes’ prescriptions of the two NVZ (NAP); ii) three N sources (urea, methylene urea (MU), and nitrification inhibitor (NI) 3,4-Dimethylpyrazole phosphate (DMPP); and two top-dressing timings (1st tiller visible and 1st node detectable). Grain yield and yield components were determined, together with N uptake. Results showed that: i) grain and biomass production were reduced with NAP at both locations; ii) urea performed better than slow-release fertilizers; iii) the best application time varied depending on N source and location: at Pisa enhanced-efficiency fertilizers achieved higher yields when applied earliest, while for urea the contrary was true; at Arezzo different N fertilizers showed similar performances between the two application timings. Different behaviors of top-dressing fertilizers at the two localities could be related to the diverse patterns of temperatures and rainfall. Therefore, optimal fertilization strategies vary according to environmental conditions.

The complete-lattice approach to optimization problems with a vector- or even set-valued objective already produced a variety of new concepts and results and was successfully applied in finance, statistics and game theory. For example, the duality issue for multi-criteria and vector optimization problems could be solved using the complete-lattice approach, compare [11]. So far, it has been applied to set-valued dynamic risk measures (in the stochastic case), as discussed in Feinstein, Rudloff etc. (see [11], for example), but it has not been applied to deterministic calculus of variations and optimal control problems. In this paper, the following problem of set-valued optimization is considered: minimize the functional $$ \overline J_t[y]=\int_0^t \overline L(s,y(s),\dot y(s))\ ds + U_0(y(0)) $$ over all admissible arcs $y$, where $\overline L$ is the associated multifunction to a vector-valued Lagrangian $L$, the integral is in the Aumann sense and $U_0$ is the initial cost. A new concept of \emph{value function}, for which a Bellman's optimality principle holds, is introduced. Also the classical result of the Hopf-Lax formula holds for the generalized value function. Finally, a derivative with respect to the time $t$ and a directional derivative with respect to $x$ of the value function are defined, based on ideas close to the concepts in [12]. The value function is proved to be solution of a suitable Hamilton-Jacobi equation.

The Greek seas as a part of the Eastern Mediterranean Sea, have been considered as a hotspot for the entrance of non-indigenous species (NIS). Ballast water functions as a major pathway for the spread of NIS in new environments, posing significant threats to both the ecosystems and human health. Nine non-indigenous fish species, originating from the Red Sea, have been introduced to the Greek seas since 1925. Despite the implemented laws for limiting the spread of NIS and the subsequent impacts, current global environmental issues, such as climate change and micro-plastic pollution, could result in a rapid spread and establishment of NIS in hot-spot regions, including the Greek seas. A more systematic use of advanced tools for the systematic monitoring of all NIS in the Mediterranean Sea is necessary.

(1) Background: Existing research has demonstrated the potential of mHealth apps in improving the caregiving outcomes of stroke. Since several apps were published in commercially available app stores without explaining their design and evaluation processes, it is necessary to identify the usability and user experience issues to promote long-term adherence and usage; (2) Methods: User reviews were extracted from the 47 previously identified apps that support stroke caregiving needs using a python-scraper. The reviews were pre-processed and filtered using python scripts. The final corpus was classified based on usability and user experience dimensions to highlight issues within the app; (3) Results: A total of 162,095 were extracted from the two app stores. After filtration, 15,818 reviews were included and classified based on the usability and user experience dimensions. Findings highlight critical issues related to the errors/effectiveness, efficiency and support that contribute to decreased satisfaction, emotion and frustration in using the app; (4) Conclusion: The study identified several usability and user experience issues due to the inability of the app developers to understand the needs of the user. Further, the study describes the inclusion of a participatory design approach to promote an improved understanding of user needs; therefore, limiting any issues and ensuring continued use.

Coccidioidomycosis (Valley Fever) is a disease caused by inhalation of Coccidioides spp. This neglected tropical disease of the Americas has substantial public health impact despite its geographic restriction to desert areas of the southwestern U.S., Mexico, Central and South America. The incidence of this infection in California and Arizona has been increasing over the past fifteen years. The burden of disease in outside the U.S. remains poorly understood. Several large cities are within the endemic region in the U.S. Coccidioidomycosis accounts for 25,000 hospital admissions per year in California. While most cases of coccidioidomycosis resolve spontaneously, up to 40% are severe enough to require anti-fungal treatment, and a significant number disseminate beyond the lungs. Disseminated infection, especially involving the meninges, is fatal without appropriate treatment. Infection with Coccidioides spp. is protective against a second infection, so vaccination seems biologically plausible. This review of efforts to develop a vaccine against coccidioidomycosis focuses on vaccine approaches and the difficulties in identifying protein antigen/adjuvant combinations that protect in experimental mouse models. Although the quest for a vaccine has not yet resulted in a clinically useful product, scientific efforts of vaccine development pave the way for future success.

A new cocrystal salt of metformin, an antidiabetic drug, and N,N’-(1,4-phenylene)dioxalamic acid, was synthesized by mechanochemical synthesis, purified by crystallization from solution and characterized by single X-ray crystallography. The structure revealed a salt-type cocrystal composed of one dicationic metformin unit, two monoanionic units of the acid and four water molecules namely H2Mf(HpOXA)2∙4H2O. X-ray powder, IR, 13C-CPMAS, thermal and BET adsorption-desorption analyses were performed to elucidate the structure of the molecular and supramolecurar structure of the anhydrous microcrystalline mesoporous solid H2Mf(HpOXA)2. The results suggest that their structures, conformation and hydrogen bonding schemes are very similar between them. To the best of our knowledge, the selective formation of the monoanion HpOXA⁻, as well as its structure in the solid, is herein reported for the first time. Regular O(-)∙∙∙C(), O(-)∙∙∙N+ and bifacial O(-)∙∙∙C()∙∙∙O(-) of n→* charge-assisted interactions are herein described in H2MfA cocrystal salts which could be responsible of the interactions of metformin in biologic systems. The results, support the participation of n→* charge-assisted interactions independently, and not just as a short contact imposed by the geometric constraint due to the hydrogen bonding patterns.

Staphylococcus aureus is a high-priority pathogen causing severe infections with high morbidity and mortality worldwide. Many S. aureus strains are methicillin-resistant (MRSA) or even multi-drug resistant. It is one of the most successful and prominent modern pathogens. An effective fight against S. aureus infections requires novel targets for antimicrobial and antistaphylococcal therapies. Recent advances in whole-genome sequencing and high-throughput techniques facilitate the generation of genome-scale metabolic models (GEMs). Among the multiple applications of GEMs is drug-targeting in pathogens. Hence, comprehensive and predictive metabolic reconstructions of S. aureus could facilitate the identification of novel targets for antimicrobial therapies. This review aims at giving an overview of all available GEMs of multiple S. aureus strains. We downloaded all 114 available GEMs of S. aureus for further analysis. The scope of each model was evaluated, including the number of reactions, metabolites, and genes.Furthermore, all models were quality-controlled using Mᴇᴍᴏᴛᴇ, an open-source application with standardized metabolic tests. Growth capabilities and model similarities were examined. This review should lead as a guide for choosing the appropriate GEM for a given research question. With the information about the availability, the format, and the strengths and potentials of each model, one can either choose an existing model or combine several models to create models with even higher predictive values. This facilitates model-driven discoveries of novel antimicrobial targets to fight multi-drug resistant S. aureus strains.

Eukaryotic cells contain membranes with various curvatures, from the near-plane plasma membrane to the highly curved membranes of organelles, vesicles, and membrane protrusions. These curvatures are generated and sustained by curvature-inducing proteins, peptides, and lipids, and describing these mechanisms is an important scientific challenge. In addition to that, some molecules can sense membrane curvature and a thereby be trafficked to specific locations. The description of curvature-sensing is another fundamental challenge. Curved lipid membranes and their interplay with membrane-associated proteins can be investigated with molecular dynamics (MD) simulations, given the right tools. Various methods for simulating curved membranes with MD are discussed here, including tools for setting up simulation of vesicles, and methods for sustaining membrane curvature. The latter are divided into methods that exploit scaffolding virtual beads, methods that use curvature-inducing molecules, and methods applying virtual forces. The variety of simulation tools allow the researcher to closely match the conditions of experimental studies of membrane curvatures.

Samaritans as a group within the ranges of ancient ‘Judaisms’ are often mentioned in Talmud and Midrash. As comparable social-religious entities, they are regarded ambivalently by the Rabbis. First, they were viewed as Jews, but from the end of the Tannaitic times, and especially after the Bar Kokhba revolt, they were perceived as non-Jews, not reliable about different fields of Halakhic concern. Rabbinic writings reflect on this change in attitude and describe a long ongoing conflict and a growing anti-Samaritan attitude. The article analyzes several dialogues between rabbis and Samaritans transmitted in the Midrash on the book of Genesis, Bereshit Rabbah. In four larger sections, the famous Rabbi Me’ir is depicted as the counterpart of certain Samaritans. The analyses of these discussions try to show how rabbinic texts avoid any direct exegetical dispute over particular verses of the Torah, but point to other hermeneutical levels of discourse and rejection of Samaritan claims. These texts thus reflect a remarkable understanding of some Samaritan convictions, and they demonstrate how rabbis denounced Samaritanism and refuted their counterparts. The Rabbi Me’ir dialogues thus are an impressive literary witness to the final stages of the parting of ways of these diverging religious streams.

This paper presents a simple yet effective solution for the transcrip- tion of printed texts. Our tool consists of a web-based user interface that provides an easy-to-use and ergonomic workflow and a col- laborative environment for the philologists while allowing them to profit from machine learning OCR technology. As the targeted use case is not mass digitisation but the creation of accurate citable digital editions, the user interface for ground truth production and post correction is built to provide the means for rapid proofread- ing while minimising the amount of errors. The productivity of the setup is further improved by enabling progressive OCR train- ing and recognition in the background to constantly increase the accuracy of the predictions. The advantages of the application are showcased in the second part of the paper by documenting our experiences utilising it for di- gitising Arabic and Latin texts. Over the course of several months the tool has been used to create transcriptions of a wide range of sources, among them challenging early modern editions and Ar- abic scripts, producing a large amount of reusable OCR training data as a positive side effect. Finally, there will be a discussion of possible future extensions of the tool and of how it could be adapted to fit the needs of other digitisation projects.

This research paper contributes to the literature of deterrence theory in general, and in particular with respect to white-collar crime, offering valuable inside by using a unique data set of fraud and violation of trust incidents for Paraguay. Descriptive evidence show a clear and continuous misallocation of funds and human capital, and therefore providing less efficient services for the public. Regression analysis suggests that clearance rate exerts a highly significant effect in deterring fraud but results are not clear for violation of trust incidents. Despite the limitations of available data, results confirm deterrence theory in Paraguay. However, to more than two-thirds of victims, not even the attempt was made to seek justice. As a side-result, it seems that a soft on crime strategy, induced from the former German penal code, has led to an increasing share of pre-trial diversion and therefore enhancing white-collar crimes like fraud and violation of trust due to impunity.

We primarily study a possible link between 2021 COVID-19 vaccination uptake in Europe and monthly 2022 excess all-cause mortality, i.e., mortality higher than before the pandemic. Analyses of 31 countries weighted by population size show that all-cause mortality during the first nine months of 2022 increased more the higher the 2021 vaccination uptake; a one percentage point increase in 2021 vaccination uptake was associated with a monthly mortality increase in 2022 by 0.105 percent (95% CI, 0.075-0.134). When controlling for alternative explanations, the association remained robust, and we discuss the result emphasizing causality as well as potential ecological fallacy. Also, the study shows that 2021 all-cause mortality was lower the higher the vaccination uptake, but this association became non-significant when controlling for alternative explanations.

Let β= (((24!)!)!)!, and let {${\mathcal P}_{n^2+1}$} denote the set of all primes of the form {$n^2+1$}. Let ${\mathcal M}$ denote the set of all positive multiples of elements of the set {${\mathcal P}_{n^2+1} \cap (\beta,\infty)$}. The set {${\mathcal X}=\{0,\ldots,\beta\} \cup {\mathcal M}$} satisfies the following conditions: (1) ${\rm card}({\mathcal X})$ is greater than a huge positive integer and it is conjectured that ${\mathcal X}$ is infinite, (2)} we do not know any algorithm deciding the finiteness of ${\mathcal X}$, (3)~a~known and short algorithm for every {$n \in N$} decides whether or not {$n \in {\mathcal X}$}, (4) a known and short algorithm returns an integer~$n$ such that ${\mathcal X}$ is infinite if and only if ${\mathcal X}$ contains an element greater than $n$. The following problem is open: {\em simply define a set {${\mathcal X} \subseteq N$} such that ${\mathcal X}$ satisfies conditions (1)-(4), and \underline{we do not know any representation of~~${\mathcal X}$~~as a finite union of sets whose definitions are simpler than} \underline{the definition of ${\mathcal X}$}} {\tt (5)}. Let {$f(1)=2$}, {$f(2)=4$}, and let {$f(n+1)=f(n)!$} for every integer {$n \geqslant 2$}. For a positive integer $n$, let {$\Psi_n$} denote the following statement: {\em if a system of equations ${\mathcal S} \subseteq \Bigl\{x_i!=x_k: i,k \in \{1,\ldots,n\}\Bigr\} \cup \Bigl\{x_i \cdot x_j=x_k: i,j,k \in \{1,\ldots,n\}\Bigr\}$ has only finitely many solutions in positive integers \mbox{$x_1,\ldots,x_n$}, then each such solution \mbox{$(x_1,\ldots,x_n)$} satisfies {$x_1,\ldots,x_n \leqslant f(n)$}.} We prove that for every statement $\Psi_n$ the bound {$f(n)$} cannot be decreased. The author's guess is that the statements {$\Psi_1,\ldots,\Psi_9$} are true. We prove that the statement $\Psi_9$ implies that the set ${\mathcal X}$ of all {non-negative} integers $k$ whose number of digits belongs to {${\mathcal P}_{n^2+1}$} satisfies conditions {\tt (1)-(5)}.

In our study we investigated the accelerated aging process of PLA under 253.7 nm UV-C irradiation with the use of GPC, NMR, FTIR, DSC methods and formal kinetic analysis. The results of GPC and DSC indicated a significant degree of destructive changes in PLA macromol-ecules, while spectroscopic methods NMR and FTIR showed maintenance of PLA main structural elements even after a long time of UV exposure. In addition to that, the GPC method displayed the formation of a high-molecular fraction starting from 24 hours of irradiation, and an increase in its content after 144 hours of experiment. It has been showed for the first time that a distinctive feature of prolonged UV exposure is the occurrence of intra- and intermolecular radical recom-bination reactions, leading to the formation of a high-molecular fraction of PLA decomposition products. This causes the observed slowdown of the photolysis process. It was concluded that photolysis of PLA is a complex of physicochemical processes, the mechanism of which depends on morphological changes in a solid phase of the polymer under UV radiation.