Miracle-dz/UniFAR-FTUs huggingface dataset:
Current status and challenges of ion imprinting

Ion imprinting technology (IIT) aims to recognize ions while retaining the unique virtues of molecular imprinting technology (MIT), namely structure predictability, recognition specificity and application universality. Owing to special coordination or electrostatic interactions, ion imprinted polymers (IIPs) are generally compatible with aqueous media and have advantages over most molecularly imprinted polymers (MIPs). IIPs can achieve effective identification of water-soluble ions, especially heavy metals and radioactive elements that cause increasing concerns. The purpose of this review is to summarize recent advances of ion imprinting, focusing on the current status and challenges in fundamentals and applications that involve almost all types of ions and ion-related molecular imprinting. In addition, various smart strategies are highlighted, such as surface imprinting, stimuli-responsive imprinting, dual/multiple components imprinting, click chemistry, and microwave-assisted heating. In this review, the elemental periodic table is first utilized as a template to introduce ion classification standards for various IIPs, including main groups, transition elements, actinides, rare earths, metalloids, anion imprinting and secondary imprinting. Finally, the challenges and possible solution strategies plus future trends are also proposed (302 references).
Pharmaceuticals and health care products in wastewater effluents: the example of carbamazepine

Persistence and impact of pharmaceutics in the environment are discussed. The case of carbamazepine (CBZ), a widely used antiepileptic drug detected in rivers, lakes, sludges and even in ground water is examined. CBZ fate was investigated in all possible routes that may follow after it has been discharged to the sewage system: activated sludge, anaerobic digestion sludge, seawater, fresh water and soil. Carbamazepine slowed down, i.e. caused a decrease in the COD consumption rate in the activated sludge process, especially after longer term exposure, while the anaerobic sludge process was unaffected in the operating conditions that were applied. The compound was not degraded under either short term or long term exposure to either aerobic or anaerobic degradation processes. Carbamazepine seemed to biosorb to solid phases (soil, sludge) and this strength of sorption was related to the organic content of the solid phase. These results explain why CBZ is a very persistent xenobiotic compound, as is apparent from its detection in appreciable amounts in various aquatic environments.
Photophysical properties of coumarin-120: Unusual behavior in nonpolar solvents

Photophysical properties of coumarin-120 (C120; 7-amino-4-methyl-1,2-benzopyrone) dye have been investigated in different solvents using steady-state and time-resolved fluorescence and picosecond laser flash photolysis (LFP) and nanosecond pulse radiolysis (PR) techniques. C120 shows unusual photophysical properties in nonpolar solvents compared to those in other solvents of moderate to higher polarities. Where the Stokes shifts (Δν=νabs−νfl), fluorescence quantum yields (Φf), and fluorescence lifetimes (τf) show more or less linear correlation with the solvent polarity function Δf={(e−1)/(2e+1)−(n2−1)/(2n2+1)}, all these parameters are unusually lower in nonpolar solvents. Unlike in other solvents, both Φf and τf in nonpolar solvents are also strongly temperature dependent. It is indicated that the excited singlet (S1) state of C120 undergoes a fast activation-controlled nonradiative deexcitation in nonpolar solvents, which is absent in all other solvents. LFP and PR studies indicate that the intersys.
Formation of nanosized BaIrO3 precipitates and their contribution to flux pinning in Ir-doped YBa2Cu3O7−δ quasi-multilayers

Structural and transport measurements for quasimultilayers of Ir-doped YBa2Cu3O7−δ prepared by pulsed-laser deposition are presented. Due to metallic Ir doping, BaIrO3 particles form during film growth. These nanosized particles, having a perovskite structure, grow epitaxially in cube-on-cube relationship inside the film. A strong increase in pinning force density and, hence, Jc was found.
Asymmetric Bioreduction of CC Bonds using Enoate Reductases OPR1, OPR3 and YqjM: Enzyme‐Based Stereocontrol

Three cloned enoate reductases from the "old yellow enzyme" family of flavoproteins were investigated in the asymmetric bioreduction of activated alkenes. 12-Oxophytodienoate reductase isoenzymes OPR1 and OPR3 from Lycopersicon esculentum (tomato), and YqjM from Bacillus subtilis displayed a remarkably broad substrate spectrum by reducing α,β-unsaturated aldehydes, ketones, maleimides and nitroalkenes. The reaction proceeded with absolute chemoselectivity - only the conjugated C=C bond was reduced, while isolated olefins and carbonyl groups remained intact - with excellent stereoselectivities (ees up to >99%). Upon reduction of a nitroalkene, the stereochemical outcome could be determined via choice of the appropriate enzyme (OPR1 versus OPR3 or YqjM), which furnished the corresponding enantiomeric nitroalkanes in excellent ee. Molecular modelling suggests that this "enzyme-based stereocontrol" is caused by subtle differences within the active site geometries.
Examining Estonian Schoolteachers' Attitudes towards the Use of Applied Science Knowledge within Craft Education.

This article examines the possibility of supporting craft education by incorporating knowledge students have gained via science lessons: such knowledge largely refers to the mathematics and physics taught in Estonian comprehensive schools. Results were gleaned from interviews with craft teachers in Estonia, in order to establish their attitudes to the idea of integrating science with craft. Their ideas are presented here, along with a comparison of their understanding of the pedagogy. The results of the study address the following research questions: 1. Do teachers consider the National Curricula supportive, in terms of integrating science knowledge in order to support craft education? 2. How do teachers recognise knowledge of science during craft processes? 3. Are teachers aware when science is integrated into their teaching? 4. What do teachers consider the benefits of such integration? The research demonstrated the pedagogy of integrating knowledge of science with craft as a novel idea, based on a process of merging the two knowledge models. The result of this process is a development of a new area of knowledge that can both enable students’ understanding and their design and fashioning processes. Moreover, it relates to realworld phenomena and thus helps students with their ideation. Such new knowledge is achievable when knowledge from one of the fields is used in the other field, whether science or craft. The integration of science with general craft education is dependent upon both the National Curricula and a teacher’s method of teaching.
Spatial Variability of Soil Properties in a Long-Term Tobacco Plantation in Central China

Spatial variability in soil properties has long been observed within uniformly managed fields. Understanding the spatial characteristics of soil properties would be helpful in the development of site-specific management. Uniform management results in overapplication in areas with high nutrient levels and underapplication in areas with low nutrient levels. The objective of this study was to quantify the degree of spatial variability of soil properties. This is important to tobacco quality across flue-cured tobacco (Nicotiana tabacum) plantation fields. Fourteen soil properties were analyzed by geostatistical techniques. Soil organic matter (OM) had significantly positive correlations with active soil OM, total N (TN), available N, available phosphorus, available potassium, Cu, Fe, and Mn. Soil TN, Zn, cation exchange capacity, and silt showed strong spatial dependence, with nugget-sill ratios ranging from 3.39% to 23.43%. Other soil properties showed moderate dependence, with nugget-sill ratios of 30.87% to 49.99%. Spatial dependence ranged from 34.3 m (Zn) to 376.3 m (Mn). The OM contour map showed highest similarity with that of TN. Variography and kriging are useful tools for soil-sampling strategies and variable-rate application in site-specific farming.
A Study on the Adsorption at Oil-Water Interface and the Emulsion Stabilizing Properties of Soy Protein Isolate

The emulsifying properties of soy protein isolate were measured at various conditions, and the relationships between the emulsifying properties and solubility, viscosity, hydrophobicity, protein adsorption, the tension at water-oil interface were investigated. The emulsifying properties are minimum at the isoelectric point(pI), and the effect of pH parallels its effect on protein solubility. The emulsifying activity is increasing up to and then is somewhat decreasing above that temperature, while the emulsion stability is continuously decreasing. Except for phosphates, the salts cause the decrease of the emulsifying properties. The hydrophobicity is increasing as the temperature increases and decreasing somewhat as pH gets lower. However, it is increasing substantially at pH below the pI. The maximum protein adsorption at the water-oil interface is 0.78, 0.47, and at pH 2, 7, and 4, respectively. The tension at water-oil interface is 19.76 dyne/cm in the absence of soy protein, whereas it is decreasing to 11.45-18.08 dyne/cm in the presence of the protein.
Specific volume measurements of Cu, Mo, Pd, and Ag and calibration of the ruby R1 fluorescence pressure gauge from 0.06 to 1 Mbar

The wavelength shift with pressure of the ruby R1 fluorescence line (Δλ) has been calibrated in the diamond‐window pressure cell from 0.06 to 1 Mbar. This was done by simultaneously making specific volume measurements of four metals (Cu, Mo, Ag, and Pd) and referring these results to isothermal equations of state derived from shock‐wave experiments. The result is P (Mbar) = (19.04/5) {[(λ0+Δλ)/λ0]5−1}, where λ0 is the wavelength measured at 1 bar.
Brain function effects of exercise interventions for cognitive decline: a systematic review and meta-analysis

Introduction Exercise is recognized as a modifiable lifestyle factor that can mitigate cognitive decline and dementia risk. While the benefits of exercise on cognitive aging have been reported on extensively, neuronal effects in adults experiencing cognitive decline have not been systematically synthesized. The aim of this systematic review was to assess the effects of exercise on cognition and brain function in people with cognitive decline associated with dementia risk. Method A systematic search was conducted for randomized controlled trials of ≥ 4 weeks exercise (aerobic, resistance, or mind-body) that assessed cognition and brain function using neuroimaging and neurophysiological measures in people with subjective or objective cognitive decline. Study characteristics and brain function effects were narratively synthesized, while domain-specific cognitive performance was subjected to meta-analysis. Study quality was also assessed. Results 5,204 records were identified and 12 unique trials met the eligibility criteria, representing 646 adults classified with cognitive frailty, mild or vascular cognitive impairment. Most interventions involved 40-minute sessions conducted 3 times/week. Exercise improved global cognition (g = −0.417, 95% CI, −0.694 to −0.140, p = 0.003, I2 = 43.56%), executive function (g = −0.391, 95% CI, −0.651 to −0.131, p = 0.003, I2 = 13.28%), but not processing speed or general short-term memory (both p >0.05). Across fMRI and ERP studies, significant neuronal adaptations were found with exercise cf. control throughout the brain and were linked with improved global cognition, memory, and executive function. Cerebral blood flow was also found to improve with 24 weeks of exercise, but was not linked with cognitive changes. Discussion The cognitive improvements associated with exercise are likely driven by increased metabolic activity, cerebrovascular mechanisms, and neuroplasticity throughout the brain. Our paper shows the promise in, and need for, high-quality trials integrating cognitive and brain function measures to elucidate the functional relationship between exercise and brain health in populations with a high risk of dementia. Systematic review registration PROSPERO, identifier: CRD42022291843.
A shifted‐excitation Raman difference spectroscopy (SERDS) evaluation strategy for the efficient isolation of Raman spectra from extreme fluorescence interference

A biochemical characterization of pathologies in biological tissue can be provided by Raman spectroscopy. Often, the raw spectrum is severely affected by fluorescence interference. We report and compare various spectra-processing approaches required for the purification of Raman spectra from heavily fluorescence-interfered raw spectra according to the shifted-excitation Raman difference spectroscopy method. These approaches cover the entire spectra-processing chain from the raw spectra to the purified Raman spectra. In detail, we compared (1) area normalization versus z-score normalization, (2) direct reconstruction of the difference spectra versus reconstruction of zero-centered difference spectra and (3) collective baseline correction of the reconstructed spectra versus piecewise baseline correction of the reconstructed spectra and, finally, (4) analyzed the influence of the shift of the excitation wavelength on the quality of the reconstructed spectra. Statistical analysis of the spectra showed that – in our experiments – the best results were obtained for the z-score normalization before subtraction of the normalized spectra, followed by zero-centering of the difference spectra before reconstruction and a piecewise baseline correction of the pure Raman spectra. With our equipment, a wavelength shift from 784 to 785 nm provided reconstructed spectra of best quality. The analyzed specimens were different tissue types of pigs, tissue from the oral cavity of humans and a model solution of dye dissolved in ethanol. © 2015 The Authors. Journal of Raman Spectroscopy published by John Wiley & Sons Ltd.
A Ternary Flame System for Soot Oxidation Studies

A ternary flame system is presented that allows observations of soot oxidation in a hydrogen diffusion flame in the absence of hydrocarbons. A propylene/air laminar jet diffusion flame emits a soot column with a diameter of 3 mm that passes through a ring burner supporting a hydrogen diffusion flame. The soot oxidizes in a region that is 60 mm long, laminar, steady, axisymmetric, and accessible for optical and sampling diagnostics. Temperatures and soot loading can be controlled nearly independently in this region and a broad range of mixture fraction is encountered without interference from soot formation.
Inhibition of Photosystem II by UV-B Radiation and the Conditions for Recovery in the Liverwort Conocephalum conicum Dum.

: Inhibition of photosynthesis by UV-B was investigated in the thalloid liverwort Conocephalum conicum Dum. UV-B irradiance was adjusted to a strength producing 50% inhibition of the rate of photosynthesis during 10 min of irradiation. A linear relationship of the fluorescence terms Fv/Fm of photosystem (PS) II and JP was observed following a UV-B irradiation. This suggested that PS II was a major site of UV-B-induced damage of photosynthesis. The apparent inhibition of Fv/Fm was much smaller when electron flow to the secondary PS II acceptor QB was inhibited by DCMU or when Fv/Fm was measured at 77 K. Apparently, the major target of UV-B effects was electron donation to the PS II reaction center, rather than electron transfer reactions at the PS II acceptor side. The time required for repair of PS II from UV-B-induced damage was light-dependent and minimal at a flux density of 5 μE m−2 s−1. Low temperatures and the presence of streptomycin inhibited the repair processes of PS II, indicating that protein synthesis may be involved in the recovery of PS II. The data indicate that UV-B irradiation on bright and cool winter days may be most harmful for photosynthesis of C. conicum. A repeated irradiation of the thalli with UV-B induced tolerance of photosynthesis which was related to an accumulation of pigments with a maximum of absorption around 315 nm.
Raman and Infrared Spectra and ab Initio Calculations of C2-4MIM Imidazolium Hexafluorophosphate Ionic Liquids

The Raman and infrared spectra of a series of 1-alkyl-3-methylimidazolium hexafluorophosphate ([C2-4MIM]PF6) ionic liquids have been recorded and analyzed using density functional theory (DFT) and RHF methods at the 6-311+G(2d,p) computational level. The DFT calculations reproduce the vibrational spectra of 1-ethyl-3-methyl imidazolium hexafluorophosphate [EMIM]PF6, 1-propyl-3-methyl imidazolium hexafluorophosphate [PMIM]PF6, and 1-butyl-3-methyl imidazolium hexafluorophosphate [BMIM]PF6 using correction factors of 0.964−0.967 with correlation coefficients R2 of 0.999. The vibrational spectra calculated at the RHF/6-311+G(2d,p) level require a correction factor of 0.89 and a correlation coefficient R2 of 0.999 using the fully optimized structures. The 1-alkyl-3-methyl hexafluorophosphate ionic liquids have common Raman C−H stretching frequencies that may serve as possible probes in studies of ionic liquid interactions. The DFT (B3LYP) and RHF gas-phase molecular structures of the [C2-4MIM]PF6 ion pairs in.
Review: soil biological properties as indicators of soil quality in Australian viticulture

Any reduction in soil quality as a consequence of production practices, through processes, such as erosion, salinisation, sodicity, acidity and structural decline, threatens the long-term sustainability of winegrape production. Monitoring of soil quality is thus needed to identify when degradation is occurring in order to allow management intervention. This review examines the suite of biological indicators available for this purpose and the potential for their adoption as part of a minimum dataset by industry. Physical and chemical indicators are discussed in a companion paper. Many groups of organisms and various biological processes have been used as indicators of soil quality in research programs. There is a lack of consensus, however, on which are the key indicators for extensive monitoring programs, and little information is available on threshold values to aid data interpretation. At present, only soil organic carbon (together with labile carbon), potentially mineralisable nitrogen and microbial biomass can be recommended for measuring the biological aspects of soil quality in Australian viticulture. Although newer molecular methods have been developed to elucidate the community structure and genetic profiles of groups in the soil biota, and thus supplement measurements of microbial biomass, these methods are not readily available through commercial laboratories. Moreover, with the exception of tests for some pathogenic organisms, these measurements have not yet been linked to soil functions influencing grapevine growth and nutrition and so are not suitable for routine monitoring of vineyard soil quality.
Reduced PM2.5 Emissions for Military Gas Turbine Engines using Fuel Additives

Abstract : The technical objective of this program was to develop fundamental understanding of the complex interactions of additives with the processes that lead to PM emissions from military gas turbine engines and to use that fundamental understanding to select and investigate the most promising additives for reducing PM emissions. Multiple laboratory devices were applied to study the effects of additives on soot formation processes including: a shock tube, a well-stirred reactor, premixed flames, diffusion flames, a spray flame, and a high-pressure turbulent reactor. Over the course of this program, three different classes of organic compounds (oxygenates, nitroalkanes, and nitrogen-heterocycles) were investigated along with phosphorus. Three primary mechanisms through which these compounds affected soot were uncovered through the course of the program: (1) changing the temperature in the fuel-rich, soot formation regions, (2) decreasing the production rates of aromatic species, and (3) increasing the number of C-atoms involved in strong chemical bonds such as C-O or C-N.
Corrosion Inhibition of Low Carbon Steel by Pluchea Indica Less. in 3.5% NaCL Solution

Inhibition of low carbon steel (LCS) corrosion in 3.5% NaCl of Pluchea indica Less. leaves extract (PILLE) has been studied using various investigation techniques such as weight loss and polarization methods. The percentage of inhibition increased as the concentration of the inhibitor increased. The results of corrosion test reveal that the extract behaves as a mixed type corrosion inhibitor. Optimum inhibition is reached from 3 mL gambir extract for immersion time of 216 hours. Fourier transform infrared (FTIR) spectroscopy result of adsorbed film on LCS surface containing PILLE shows that in changes in the functional group frequencies of the organic component of the extract.
Meta-analysis and publication bias: How well does the FAT-PET-PEESE procedure work? A replication study of Alinaghi & Reed (Research Synthesis Methods, 2018)

A meta-analysis is a tool for aggregating estimates of a similar "effect" across many studies. Publication bias is the phenomenon where literature is sample selected in favor of studies having statistically significant results and/or having estimates that satisfy pre-conceived expectations. A popular procedure used for conducting meta-analyses in the presence of publication bias is the FAT-PET-PEESE (FPP) procedure. In a recent paper published in Research Synthesis Methods, Alinaghi and Reed (2018), utilizing Monte Carlo simulations, report that the FPP procedure does not work well when used in 'realistic' data environments where true effects differ both across and within studies. AR's findings are important because the FPP approach is dominant in the economics meta-analysis literature. I replicate their results and discover two mistakes, which I subsequently correct. The first mistake is found in a descriptive statistics table, misrepresenting the overview of simulated dataset. The second is associated with the fixed effect estimation, generating erroneous estimated effects and Type I error. Further, I extend their analysis by making their simulation environment even more realistic. Despite producing somewhat different results, my replications generally confirm AR's conclusions about the unreliability of the FPP procedure in realistic data environments.
SECAFÉ Parte I: modelamiento y simulación matemática en el secado mecánico de café pergamino

Se implemento en lenguaje de programacion Microsoft Visual Basic 6.0, dos programas de simulacion matematica para el secado de cafe pergamino, tomando como base los modelos de Thompson y de la Universidad del Estado de Michigan (MSU), para lo cual se utilizaron los parametros determinados en Cenicafe para la simulacion matematica del secado de cafe pergamino. Los programas estiman el funcionamiento de cada uno de los secadores mecanicos de cafe existentes en Colombia. Se compararon los resultados obtenidos mediante simulacion para cada uno de los secadores, con los resultados experimentales obtenidos en Cenicafe, concluyendose que estos predicen adecuadamente el secado del cafe pergamino. Con base en los buenos resultados de la evaluacion de los programas, se implemento un unico programa de simulacion para el secado de cafe pergamino.