Miracle-dz/UniFAR-FTUs huggingface dataset:
NMR Studies On Metal (Hg (II), Pb (II), Ag (I), Zn (II) And Cd (II)) Chelates Of 1, 2 Naphthoquinone 1-Oxime,

NMR chemical shifts of proton, 13 carbon, nitrogen , oxygen and metal i.e. Ag, Cd, Pb, Zn and Hg have been computed by using Gaussian 09 code. The geometries were first determined at the Hartree - Fock level of employing LANL2DZ basis set. Five metal chelates of the type M (NQO)2 where M = Hg, Cd, Zn, Pb: NQO = 1, 2 napthoquinone-1-oxime and Ag (NQO) have been synthesized. Chemical shifts of proton and 13 Carbon were determined and compared with computed chemical shifts. The assignments were confirmed with the help of animation process which is available in Gaussian 09 computer code. The results suggest that it shows the formation of chelates with five member ring.
Provider Impacts of Socioeconomic Risk Screening and Referral Programs: A Scoping Review

Background: Initiatives to identify and intervene on patients' socioeconomic needs in the context of health care delivery are expanding. Little information has been compiled across studies on health care providers' knowledge, attitudes, beliefs, and behaviors (KABB) regarding socioeconomic risk screening and referral interventions. Methods: We conducted a systematic scoping review of providers' KABB related to health care–based socioeconomic risk screening and referral interventions using several search engines. Included studies assessed health care providers' KABB about screening and interventions conducted in clinical settings. Results: Of 14,757 studies evaluated, 53 were eligible for inclusion. Study designs were heterogeneous. Outcome measures included attitudes and beliefs (n = 42), provider behaviors (n = 35), and provider knowledge (n = 26). The majority of providers expressed positive attitudes toward addressing patients' socioeconomic risks. Participants endorsed concerns regarding insufficient knowledge and resources, time and workflow disruption, and potential negative impacts of screening and referral programs on relationships. Exposure to screening and referral programs led to increases in providers' positive attitudes, socioeconomic risk screening rates, and reported knowledge about intervention options. Conclusions: Participation in screening and referral programs seems to influence providers' perception of implementation barriers. Future research should explore providers' concerns about addressing identified risks.
The Kati Module System: Modular Design for Delivering Character Focused Dialogue in Games

The Kati Module System is an interconnected set of programming modules intended to facilitate dynamic text authoring for interactive experiences (for example, games). It is a long-standing goal for interactive experiences to dynamically adapt their textual output based on the user or player's choices and predilections, but to account for this vast possibility space requires an amount of authoring that is frequently untenable, especially for small studios. Advances in machine learning have produced incredible progress in the field of Natural Language Generation (NLG). Though this produces impressive surface level text, it does so without an internal representation that can be reasoned over previous game states, resulting in output with deep local coherence and low global coherence. Kati attempts to provide the best of both worlds by allowing authors to author configurable text snippets. Kati dynamically rearranges and chooses dialogue phrases based on game state, allowing for high degrees of authorial control, global coherence, and dynamic adaptability to player choice.
Enhancing RFID system configuration through semantic modelling

Abstract Radio-Frequency Identification (RFID) system technology is a key element for the realization of the Industry 4.0 vision, as it is vital for tasks such as entity tracking, identification and asset management. However, the plethora of RFID systems’ elements in combination with the wide range of factors that need to be taken under consideration along with the interrelations amongst them, make the problem of identification and design of the right RFID system, based on users’ needs particularly complex. The research outlined in this paper seeks to optimize this process by developing an integrating schema that will encapsulate this information in a form that is both human and machine processible. Human readability will allow a shared understanding of the RFID technology domain; machine readability, automated reasoning engines to perform logical deduction techniques returning implicit information. For this purpose, the novel RFID System Configuration Ontology (RFID SCO) is developed. Hence, non-RFID experts are enabled to identify the most suitable RFID system according to their needs and RFID experts to retrieve all the relevant information required for the efficient design of the corresponding RFID system. The RFID SCO is validated and tested successfully against real-world scenarios provided by domain experts.
The effect of hydrogen on the evolution of intergranular cracking: a cross-scale study using first-principles and cohesive finite element methods

A combination of first-principles and cohesive finite element (CFE) cross-scale calculations is performed to examine the effect of hydrogen on the intergranular cracking of aluminum. First-principles calculations based on density functional theory are investigated to assess the adsorption and diffusion of H along the Al (111) surface and the cohesive energies of the grain boundaries (GBs) with different H concentrations. CFE calculations are used to simulate the evolution of intergranular cracking induced by hydrogen segregation in GBs. To combine first-principles calculations and CFE modelling, the GB cohesive energies are used as inputs for the fracture energies in the CFE calculations. The results show that H atoms diffuse into the interstitial sites in the bulk material and segregated to the GBs by overcoming the energy barriers. The cohesive energies of the GBs decrease linearly with increasing of H concentration. The application of these cross-scale approaches is very efficient for investigating the evolution of hydrogen induced intergranular cracking.
Enterprise Resource Planning Systems: The Business Backbone

Enterprise Resource Planning is a software system that integrates data and information management of the entire functional company that includes finance, accounting, production, sales, purchasing, human resources and other functions. These functions are separated by software modules, but are connected to one integrated data center. Modules in the ERP system include financial accounting, control, investment management, enterprise controlling, treasury, logistics execution, sales distribution, materials management, production planning, plant maintenance, quality management, project systems. The benefits of ERP in the company can help business process automation, Single point of information, High efficiency, Sources of information sufficient to conduct analysis.
Theoretical investigation of the oxygen bond dissociation energies in graphene oxide

The theoretical vibrational spectrum, oxygen bond dissociation energies (BDE), atomic charges and hydrogen bonding has been investigated using wB97XD/6-31g(d) method of calculation. The order of BDE for C-O comes in the ascending order starting from hydroxyl group above or below the graphene sheet, one of the epoxy bridge bonds, phenolic, OH of carboxylic acid, hydroxyl groups on the terminals, and the hardest to break carboxylic groups. The break of carboxylic group starts on their OH part rather than C=O part.
Starting characteristics of ventilation air methane preheating catalytic oxidation reactor

The ventilation air methane( VAM) preheating catalytic monolithic reactor was built. The effects of the equivalent heating power,the flow proportionality coefficient and the methane concentration on the starting characteristics of preheating catalytic monolithic reactor were studied experimentally. The results show that with the increase of the equivalent heating power,the starting time consumption and starting power consumption decrease. With the increase of the flow proportionality coefficient,the starting time consumption and starting power consumption increase.The variations of temperature rise profile at various methane concentrations is little. With the increase of the methane concentration,the starting time consumption decreases hardly. When the flow proportionality coefficient from 0. 35 to0. 40 and the equivalent heating power from 18 kW to 20 kW,the starting time consumptions,the starting power consumptions and the average rise ratios of oxidation bed inlet temperature are small,the excellent starting characteristics is exhibited.
Synthesis and characterization of peptide conjugated human serum albumin nanoparticles for targeted cardiac uptake and drug delivery

Congestive heart failure, a prominent cardiovascular disease results primarily from myocardial infarction or ischemia. Milrinone (MRN), a widely used clinical drug for heart failure, improves myocardial contractility and cardiac function through its inotropic and vasodilatory effects. However, lacking target specificty, it exhibits low bioavailability and lower body retention time. Therefore, in this study, angiotensin II (AT1) peptide conjugated human serum albumin nanoparticles (AT1-HSA-MRN-NPs) have been synthesized for targeted delivery of MRN to the myocardium, overexpressing AT1 receptors under heart failure. The NPs were surface functionalized through a covalent conjugation reaction between HSA and AT1. Nanoparticle size was 215.2±4.7 nm and zeta potential -28.8±2.7 mV and cumulative release of MRN was ∼72% over 24 hrs. The intracellular uptake of nanoparticles and cell viability was studied in H9c2 cells treated with AT1-MRN-HSA-NPs vs the control non-targeted drug, MRN Lactate under normal, hypoxic and hypertrophic conditions. The uptake of AT1-HSA-MRN-NPs in H9c2 cells was significantly higher as compared to non-targeted nanoparticles, and the viability of H9c2 cells treated with AT1-MRN-HSA-NPs vs MRN Lactate was 73.4±1.4% vs 44.9±1.4%, respectively. Therefore, AT1-HSA-MRN-NPs are safe for in vivo use and exhibit superior targeting and drug delivery characteristics for treatment of heart failure.
Memories in a network with excitatory and inhibitory plasticity are encoded in the spiking irregularity

Cell assemblies are thought to be the substrate of memory in the brain. Theoretical studies have previously shown that assemblies can be formed in networks with multiple types of plasticity. But how exactly they are formed and how they encode information is yet to be fully understood. One possibility is that memories are stored in silent assemblies. Here we used a computational model to study the formation of silent assemblies in a network of spiking neurons with excitatory and inhibitory plasticity. We found that even though the formed assemblies were silent in terms of mean firing rate, they had an increased coefficient of variation of inter-spike intervals. We also found that this spiking irregularity could be readout with support of short-term plasticity, and that it could contribute to the longevity of memories.
Herbarium specimens reveal herbivory patterns across the genus Cucurbita

PREMISE Quantifying how closely related plant species differ in susceptibility to insect herbivory is important for our understanding of variation in plant-insect ecological interactions and evolutionary pressures on plant functional traits. However, empirically measuring in situ variation in herbivory over the entire geographic range where a plant-insect complex occurs is logistically difficult. Recently, new methods have been developed to use herbarium specimens to investigate patterns in plant-insect interactions across geographic areas, and during periods of accelerating anthropogenic change. Such investigations can provide insights into changes in herbivory intensity and phenology in plants that are of ecological and agricultural importance. METHODS Here, we analyze 274 pressed herbarium samples from all 14 species in the economically important plant genus Cucurbita (Cucurbitaceae) to investigate variation in herbivory damage. This collection is comprised of specimens of wild, undomesticated Cucurbita that were collected from across their native range in the Neotropics and subtropics, and Cucurbita cultivars that were collected from both within their native range and from locations where they have been introduced for agriculture in temperate Eastern North America. RESULTS We find that herbivory is common on individuals of all Cucurbita species collected from throughout their geographic ranges; however, estimates of herbivory varied considerably among individuals, with greater damage observed in specimens collected from unmanaged habitat. We also find evidence that mesophytic species accrue more insect damage than xerophytic species. CONCLUSIONS Our study demonstrates that herbarium specimens are a useful resource for understanding ecological interactions between domesticated crop plants and co-evolved insect herbivores.
Preparative Isolation of Polar Antioxidant Constituents from Abies koreana Using Centrifugal Partition Chromatography Guided by DPPH•-HPLC Experiment

Preparative separation of antioxidant constituents from the leaves of Abies koreana Wilson (Pinaceae) was performed by centrifugal partition chromatography (CPC) with a two-phase solvent system of ethyl acetate-isopropanol-water (9:1:10, v/v) target-guided by DPPH•-HPLC experiment. In DPPH•-HPLC experiment, trans-piceid exerted antioxidant activity, which was purified by Diaion-HP 20 macroporous resin chromatography and subsequent CPC. Maltol (98.3 mg), dihydrokaempferol 7-O-β-D-glucopyranoside (230.4 mg), and trans-piceid (165.9 mg) were purified from 2.19 g of crude extract with the purity over 95% by HPLC analysis. The chemical structures of isolated compounds were determined by 1H, 13C NMR, and ESI-MS.
A real-time assay for cell-penetrating peptide-mediated delivery of molecular cargos

Cell-penetrating peptides (CPPs) are capable of transporting molecules to which they are tethered across cellular membranes. Unsurprisingly, CPPs have attracted attention for their potential drug delivery applications, but several technical hurdles remain to be overcome. Chief among them is the so-called ‘endosomal escape problem,’ i.e. the propensity of CPP-cargo molecules to be endocytosed but remain entrapped in endosomes rather than reaching the cytosol. Previously, a CPP fused to calmodulin that bound calmodulin binding site-containing cargos was shown to efficiently deliver cargos to the cytoplasm, effectively overcoming the endosomal escape problem. The CPP-adaptor, “TAT-CaM,” evinces delivery at nM concentrations and more rapidly than we had previously been able to measure. To better understand the kinetics and mechanism of CPP-adaptor-mediated cargo delivery, a real-time cell penetrating assay was developed in which a flow chamber containing cultured cells was installed on the stage of a confocal microscope to allow for observation ab initio. Also examined in this study was an improved CPP-adaptor that utilizes naked mole rat (Heterocephalus glaber) calmodulin in place of human and results in superior internalization, likely due to its lesser net negative charge. Adaptor-cargo complexes were delivered into the flow chamber and fluorescence intensity in the midpoint of baby hamster kidney cells was measured as a function of time. Delivery of 400 nM cargo was observed within seven minutes and fluorescence continued to increase linearly as a function of time. Cargo-only control experiments showed that the minimal uptake which occurred independently of the CPP-adaptor resulted in punctate localization consistent with endosomal entrapment. A distance analysis was performed for cell-penetration experiments in which CPP-adaptor-delivered cargo showing wider dispersions throughout cells as compared to an analogous covalently-bound CPP-cargo. Small molecule endocytosis inhibitors did not have significant effects upon delivery. The real-time assay is an improvement upon static endpoint assays and should be informative in a broad array of applications.
Long-term changes in populations of rainforest birds in the Australia Wet Tropics bioregion: A climate-driven biodiversity emergency

Many authors have suggested that the vulnerability of montane biodiversity to climate change worldwide is significantly higher than in most other ecosystems. Despite the extensive variety of studies predicting severe impacts of climate change globally, few studies have empirically validated the predicted changes in distribution and population density. Here, we used 17 years of bird monitoring across latitudinal/elevational gradients in the rainforest of the Australian Wet Tropics World Heritage Area to assess changes in local abundance and distribution. We used relative abundance in 1977 surveys across 114 sites ranging from 0-1500m above sea level and utilised a trend analysis approach (TRIM) to investigate elevational shifts in abundance of 42 species between 2000 – 2016. The local abundance of most mid and high elevation species has declined at the lower edges of their distribution by >40% while lowland species increased by up to 190% into higher elevation areas. Upland-specialised species and regional endemics have undergone dramatic population declines of almost 50%. The “Outstanding Universal Value” of the Australian Wet Tropics World Heritage Area, one of the most irreplaceable biodiversity hotspots on Earth, is rapidly degrading. These observed impacts are likely to be similar in many tropical montane ecosystems globally.
Mechanosensitivity of nucleocytoplasmic transport

Mechanical force controls fundamental cellular processes in health and disease, and increasing evidence shows that the nucleus both experiences and senses applied forces. Here we show that nuclear forces differentially control passive and facilitated nucleocytoplasmic transport, setting the rules for the mechanosensitivity of shuttling proteins. We demonstrate that nuclear force increases permeability across nuclear pore complexes, with a dependence on molecular weight that is stronger for passive than facilitated diffusion. Due to this differential effect, force leads to the translocation into or out of the nucleus of cargoes within a given range of molecular weight and affinity for nuclear transport receptors. Further, we show that the mechanosensitivity of several transcriptional regulators can be both explained by this mechanism, and engineered exogenously by introducing appropriate nuclear localization signals. Our work sets a novel framework to understand mechanically induced signalling, with potential general applicability across signalling pathways and pathophysiological scenarios. One sentence summary Force application to the nucleus leads to nuclear accumulation of proteins by differentially affecting passive versus facilitated nucleocytoplasmic transport.
Baseline Psychological Traits Contribute to Lake Louise Acute Mountain Sickness Score at High Altitude

Background Interoception refers to an individual’s ability to sense their internal bodily sensations. Acute mountain sickness (AMS) is a common feature of ascent to high altitude that is only partially explained by measures of peripheral physiology. We hypothesised that interoceptive ability may explain the disconnect between measures of physiology and symptom experience in AMS. Methods and Material Two groups of 18 participants were recruited to complete a respiratory interoceptive task three times at two-week intervals. The control group remained in Birmingham (140m altitude) for all three tests. The altitude group completed test 1 in Birmingham, test 2 the day after arrival at 2624m, and test 3 at 2728m after an 11-day trek at high altitude (up to 4800m). Results By measuring changes to metacognitive performance, we showed that acute ascent to altitude neither presented an interoceptive challenge, nor acted as interoceptive training. However, AMS symptom burden throughout the trek was found to relate to sea-level measures of anxiety, agoraphobia, and neuroticism. Conclusions This suggests that the Lake Louise AMS score is not solely a reflection of physiological changes on ascent to high altitude, despite often being used as such by researchers and commercial trekking companies alike.
A BioBricks® toolbox for multiplexed metabolic engineering of central carbon metabolism in the tetracenomycin pathway

The tetracenomycins are aromatic anticancer polyketides that inhibit peptide translation via binding to the large ribosomal subunit. Here, we expressed the elloramycin biosynthetic gene cluster in the heterologous host Streptomyces coelicolor M1146 to facilitate the downstream production of tetracenomycin analogs. We developed a BioBricks® genetic toolbox of genetic parts for substrate precursor engineering in S. coelicolor M1146::cos16F4iE. We cloned a series of integrating vectors based on the VWB, TG1, and SV1 integrase systems to interrogate gene expression in the chromosome. We genetically engineered three separate genetic constructs to modulate tetracenomycin biosynthesis: 1) the vhb hemoglobin from obligate aerobe Vitreoscilla stercoraria to improve oxygen utilization; (2) the accA2BE acetyl-CoA carboxylase to enhance condensation of malonyl-CoA; (3) lastly, the sco6196 acyltransferase, which is a “metabolic regulatory switch” responsible for mobilizing triacylglycerols to β-oxidation machinery for acetyl-CoA. In addition, we engineered the tcmO 8-O-methyltransferase and newly identified tcmD 12-O-methyltransferase from Amycolatopsis sp. A23 to generate tetracenomycins C and X. We also co-expressed the tcmO methyltransferase with oxygenase urdE to generate the analog 6-hydroxy-tetracenomycin C. Altogether, this system is compatible with the BioBricks® [RFC 10] cloning standard for the co-expression of multiple gene sets for metabolic engineering of Streptomyces coelicolor M1146::cos16F4iE.
3D imaging reveals potential anticipatory responses to increasing intraspecific competition in the Drosophila male reproductive system

Selection favour males that anticipate intraspecific competition levels and develop appropriate competitive traits. In holometabolous insects, larval density can act as an ecological cue of males’ future intraspecific competition levels while also limiting access to food allocated to sexually selected traits (e.g., testes). To date, however, most studies have been conducted in larval densities that may have little or no relevance to species’ ecology. Here, we manipulated Drosophila melanogaster larval density based on the natural history of the species and used 3D micro-CT imaging to show a strong modulation of testes volume based on larval density: males from high larval densities generally had larger testes. Conversely, males from high densities tended (albeit not statistically significantly) to have the smallest accessory glands and ejaculatory bulb. Overall, we used micro-CT to measure male reproductive morphology in an ecologically relevant design for which the findings broadly support predictions from sexual selection theory.