Miracle-dz/UniFAR-FTUs huggingface dataset:
Effects of biochar on the dynamics of aggregate stability in clay and sandy loam soils

Recent advances suggest that organic substances of different origins might have different aggregate stability dynamics. We investigated the extent to which contrasting soil types affect the dynamics of aggregation after the addition of crop residues (R) and of biochar at two doses (BC20, 20 Mg ha−1; BC40, 40 Mg ha−1) in a 2‐year experiment. To evaluate disaggregation, we measured a set of physical–chemical and structure‐related properties of clay and sandy loam aggregates sieved to 1–2 mm, including wet aggregate stability after different pretreatments combined with laser diffraction analysis. The electrochemical properties of the colloidal suspension were also analysed to identify changes in soil chemistry affected by organic inputs. Different amounts of added biochar and soil types produced contrasting effects on wet aggregate stability. In sandy loam, the increased soil surface area from added biochar (at either dose) offset the initial small soil organic carbon (SOC) content and subsequently promoted SOC‐controlled aggregation. Conversely in clay soil, the larger biochar dose (BC40) strengthened the repulsive forces between particles with the same charge and monovalent cations, which led to chemical perturbation and some aggregate breakdown not found with BC20. Pore structure also changed in clay aggregates. A shift towards more micropores (30–5 μm, + 29% more than in the control) and ultramicropores (5–0.1 μm, + 22% more than in the control), which contributed to aggregate stabilization, resulted when biochar was added, but not for residue. Our results suggest that biochar promotes aggregate stability, which, in turn, improves the physical fertility of soil, especially if it has a coarse texture and small organic carbon content. Further study is needed of the physical–chemical interactions between added biochar and surface‐charged clay‐rich soils.
Ab initio modeling of dense water ices at extreme conditions of pressure and temperature

In this thesis we study the stability and the properties of pure and NaCl-bearing dense water ices at high pressure (between 5 and 300 GPa) and high temperature (between 300 and 2000 K). To reach these conditions that correspond to the interiors of ocean exoplanets, we employ a theoretical approach based on ab initio molecular dynamics simulations. We show that a detailed analysis of the hydrogen bond dynamics allows to distinguish all the different ice phases presenting a body-centered cubic sub-lattice of oxygen atoms. In particular, we present the first ab initio description of the plastic phase of water ice. We also reveal the multiple transitions that occur in the superionic domain. Next, we show that ice VII' can incorporate up to 5.9 wt% NaCl in its structure at 1600 K. The inclusion of Na+ and Cl- ions enhances the orientation disorder of the water molecules in comparison to the pure ice. From 2.5 wt% NaCl, superionic conduction expands over the entire pressure range studied, and the hydrogen symmetrisation is shifted towards higher pressures. Last, we describe the and screw dislocation core structures of ice X at 80 GPa. This constitutes a first step towards the construction rheological laws for high-pressure cubic ices.
Sal Bark - Shorea robusta Gaertn. : Its Commercial Potentialities

The studies have been made to explore the commercial potentialities of sal bark ( Shorea robusta Gaertn.). The bark was analysed for ash, tans, non-tans and colour of the extract. Tannins were isolated under different temperatures and periods of extraction. Spray-dried tan extract was analysed for ash, tans, non-tans and colour intensity. Proximate chemical analysis of the spent bark was carried out. To isolate cellulose from the spent sal bark, the material was cooked under pressure in an alkaline medium of sod. Hydroxide and a mixture of sod. Hydroxide and sod. Sulphide and the resultant cellulose was subjected to usual bleaching process using bleaching powder. Yield of the bleached cellulose obtained was 80.03 per cent. The bleached cellulose was then analysed for its major chemical constituents. A sample of this cellulose was sent to the Institute of Paper Chemistry, Appleton, U.S.A. for data on x-ray electronmicrograph and viscosity and this data is incorporated in the article. Briquettes of saw dust and coal dust were made using alkali lignin recovered after digestion of the spent bark, as a binder. The briquettes were found to have good resistance to handling. Probable industries where sal bark can be profitably utilized are indicated.
Process analytical technology for monitoring pharmaceuticals freeze-drying – A comprehensive review

ABSTRACT The goal of this paper is to review the available process analytical technology tools for monitoring the batch freeze-drying process for pharmaceuticals. These systems aim evaluating in-line product temperature, sublimation flow rate, and values of some model parameters in such a way that it can be used for in-line or off-line process optimization. A detailed survey of the systems proposed in the literature is presented, grouping them on the basis of monitored variable, namely, product temperature, heat flux to the product, sublimation flux, and, finally, other variables. The advantages and drawbacks of the techniques are critically assessed, taking into account the possibility of using them not only at lab-scale but also at production scale, beside, obviously, the possibility of getting reliable measurements of the desired variables.
Modelling Laboratory Fischer-Tropsch Synthesis Using Cobalt Catalysts

Abstract The main goal of this paper is to critically review current microkinetics available for Fischer-Tropsch synthesis (FTS) modelling, in order to propose the best way to follow this set of complex reactions; therefore a microkinetic model was developed for FTS, accomplishing surface chemistry, heterogeneous kinetics, and single-event previous development for Co-based catalysts. Model starts simulating CO activation on catalyst surface, and then formation of methane, ethane and subsequent chain growth. Reaction rates were derived following the formalism of Langmuir-Hinshelwood-Hougen-Watson (LHHW); surface steps were proposed in consequence of feasibility. Chain growth was modelled by single-event steps, taking into account geometrical conformation explicitly. Number of growth steps of 1-olefins was rectified as requiring one more active site than mechanisms proposed previously; it was found that formation of these olefins exhibits a fast drop in chain growth; this phenomenon is explained in terms of probable geometrical conformations that lead to the number of single events. Experimental results in literature about isothermal synthesis of hydrocarbons in the gasoline range were simulated in a fixed-bed laboratory reactor; thermodynamic consistency was derived from chemical equilibrium over all reactions occurring during FTS. Equilibrium constants were evaluated as function of Gibbs free energy, and partial pressures of reactants and products.
Organic and urea nitrogen fertilizer effects on rapeseed and wild mustard competition

ABSTRACT The competitive effects of wild mustard on rapeseed with organic amendments and urea alone or combined were studied for 2 years. Treatments consisted of three Sinapis arvensis densities and fertilizer treatments of composted cattle manure, composted municipal waste, urea nitrogen, a combination CCM+urea, a combination of CMW+urea, and a control. Weed growth was stronger in urea fertilizer and with combined organic amendments than in organic amendments alone. However, application of organic amendments could increase weed competitive ability. In the first year, urea fertilizer alone and combined with organic amendments led to the greatest rapeseed yield, but in the following year, organic amendments alone were able to increase rapeseed yield approximately equal to urea fertilizer and combined with organic amendments. Application of organic amendments alone or combined with N fertilizer could be an efficient method to increase soil productivity.
1995 Department of Defense Survey of Health Related Behaviors Among Military Personnel

Abstract : In this report, we present the findings from the 1995 Department of Defense (DoD) Survey of Health Related Behaviors Among Military Personnel, conducted by the Research Triangle Institute of Research Triangle Park, North Carolina. We describe substance use, health behaviors related to selected Healthy People 2000 subjects (Public Health Service (PHS), 1991), and progress since 1980 toward achieving health-related goals set forth by the DoD. For this report, 'substance use' includes use of alcohol, other drugs, and tobacco (cigarettes, smokeless tobacco, and pipes and cigars). This study is the sixth in a series of surveys of military personnel across the world conducted in 1980, 1982, 1985, 1988, 1992, and 1995 under the guidance of the Office of the Assistant Secretary of Defense for Health Affairs or OAsD(HA). Ml of the surveys have assessed the prevalence of alcohol use, drug use, and tobacco use; adverse consequences associated with substance use; and since 1982, trends in substance use and related adverse consequences of use. Beginning in 1985, the surveys examined the effect of health behaviors other than substance use on the quality of life of military personnel. In 1988, this emphasis was expanded and oriented around the DoD health promotion objectives and provided information about knowledge of and attitudes toward the acquired immune deficiency syndrome (AIDS). In 1992, in collaboration with the DoD and the Services, we broadened this aspect of the survey even further to give greater emphasis to health risks, knowledge and beliefs about MDS transmission, and nutrition, as well as other special issues, including the impact of Operations Desert Shield and Desert Storm on substance use rates and the effects of problem gambling in the Military.
High N2O5 Concentrations Observed in Urban Beijing: Implications of a Large Nitrate Formation Pathway

The heterogeneous hydrolysis of dinitrogen pentoxide (N2O5) is important to understanding the formation of particulate nitrate (pNO3–). Measurements of N2O5 in the surface layer taken at an urban site in Beijing are presented here. N2O5 was observed with large day-to-day variability. High N2O5 concentrations were determined during pollution episodes with the co-presence of large aerosol loads. The maximum value was 1.3 ppbv (5 s average), associated with an air mass characterized by a high level of O3. N2O5 uptake coefficients were estimated to be in the range of 0.025–0.072 using the steady-state lifetime method. As a consequence, the nocturnal pNO3– formation potential by N2O5 heterogeneous uptake was calculated to be 24–85 μg m–3 per night and, on average, 57 μg m–3 during days with pollution. This was comparable to or even higher than that formed by the partitioning of HNO3. The results highlight that N2O5 heterogeneous hydrolysis is vital in pNO3– formation in Beijing.
Chemical composition and in situ ruminal degradability of dry matter in mixed silages of Tithonia diversifolia: Pennisetum purpureum cv. Cuba CT-169, inoculated with VITAFERT

The chemical composition and in situ ruminal degradability of dry matter in mixed silages was analyzed, using different proportions of Tithonia diversifolia and Pennisetum purpureum cv. Cuba CT-169, inoculated with VITAFERT. A completely randomized design was used, with a 4 x 4 factorial arrangement. Treatments consisted on replacing four levels of P. purpureum with T. diversifolia (20:80, 40:60, 60:40 and 80:20 % weight HB), with the proportional inclusion of four levels of VITAFERT (0; 4.5; 6.0; 8.0 % weight HB) in the mixture. At the end of fermentation period (62 d), the chemical composition (% DM, % CP, % ash, % NDF) and in situ ruminal degradability of dry matter were determined. For that purpose, two bovine females (Holstein x Zebu) were used, with 475 kg of mean liveweight, with a fistula in the rumen and fed ad libitum with grass forage and a commercial concentrate at a rate of 6 g. kg LW-1. The bags were incubated during a dynamics of fermentation (8, 16, 24, 48, 72 and 96 h). The results showed an increase in the content of CP and ash, and a reduction of NDF in all the mixtures inoculated with VITAFERT. However, the levels 4.5 and 6.0 % of VITAFERT reached the best response. The combination of 20:80 Tithonia:Pennisetum with 4.5 % of VITAFERT in the mixture had the highest degradability(48 %) in less time (30 h), degradation speed (c=13 % h-1) and effective degradability (EDk0.02= 42.49 % , k0.04= 38.32 %). Key words: Tithonia, silages, effective degradability, proportions
Débridement Arthroplasty for Primary Osteoarthritis of the Elbow

BACKGROUND: Formal and more aggressive debridement procedures have been described for the treatment of advanced primary osteoarthritis of the elbow. However, the literature contains little information on the results of long-term follow-up. The purpose of this study was to evaluate outcomes at an average of ten years after debridement arthroplasties performed through a posteromedial approach. METHODS: Thirty-three elbows with primary osteoarthritis in thirty-two patients treated with debridement arthroplasty were available for clinical follow-up evaluation. Through a posteromedial approach, the flexor-pronator muscle origin was reflected from the medial epicondyle and the joint was opened, preserving the anterior oblique bundle of the medial collateral ligament. The ulnar nerve was decompressed in all patients. Osteophytes were removed from the anterior, medial, and posterior sides of the elbow joint. In nine elbows, osteophytes from the lateral compartment were removed through an additional lateral approach. The mean age at the time of the operation was fifty years. The mean duration of follow-up was 121 months, and nineteen elbows were followed for more than ten years. RESULTS: The mean preoperative limitation of extension of 31° was reduced to 24°, and the mean preoperative flexion of 101° improved to 118° (p < 0.001). The mean arc of movement improved by 24°. The mean Japanese Ortho-paedic Association elbow score was 83 points at the latest follow-up evaluation compared with 60 points preoperatively (p < 0.001). Of twenty-five patients who had performed heavy manual work, nineteen (76%) returned to their previous job or an equivalent job. At the latest examination of the nineteen elbows followed for more than ten years, the limitation of extension was found to have increased by 7° compared with the limitation noted at one year (p < 0.009); the mean arc of flexion had remained the same. Three elbows required a reoperation. Overall, 85% of the elbows were satisfactory to the patients. CONCLUSIONS: Debridement arthroplasty through a posteromedial approach can provide stable and reliable long-term results with regard to relief of pain, gains in range of motion, and the patient's ability to return to his or her previous occupation. In our series, a modest loss of extension was observed at ten years, whereas the arc of flexion remained consistent.
Optimizing Extraction Conditions of Actinidin from Kiwifruit (Actinidia deliciosa)

Kiwifruit (Actinidia deliciosa) is one many fruits that is rich of enzymes like Actinidin. Actinidin is a member of cysteine protease. In this study, different parameters and conditions were tested for optimal Actinidin extraction from kiwifruit. The tested parameters are optimum buffers, pH, Molarity, time, and amounts (gm) of kiwifruit to volume (ml) of buffer ratio. The best buffer for Actinidin extraction from kiwifruit was Sodium phosphate because it gave high activity, with casein as a substrate. The next experiments used sodium phosphate as an optimal buffer for Actinidin extraction and casein as a substrate, detected the optimal Actinidin extraction conditions were carried out at pH 7.0, 0.1 M of sodium phosphate, 2.5 min of extraction time, 1:0.5 (gm of kiwifruit fruit/ v of sodium phosphate buffer) extraction percentage, and 30 min of incubation time. Also this study showed that the maximum enzyme activity for Actinidin extracted from kiwifruit was at pH 7and at 30 min of incubation with casein as substrate.
Responsibility of Hydrogen Peroxide for the Lethality of Resting Escherichia coli B Cells Exposed to Alternating Current in Phosphate Buffer Solution

Surviving fractions of Escherichia coli B exposed to an alternating current (AC) of 50 Hz in a phosphate buffer solution of pH 7.0 at 29°C were closely related to the amount of H2O2 formed in cell suspensions. At a definite current density, the amount of H2O2 in the suspensions or in buffer solution without cells increased with increasing AC-exposure time under aerobic conditions. On the other hand, the formation of H2O2 on AC-exposure was not detected under anaerobic conditions. It was considered that H2O2 was formed on the surface of carbon electrodes by AC-electrolytic reduction of dissolved oxygen. The amount of H2O2 formed decreased with increasing concentration of cells suspended or of catalase added to the suspension. When the formation of H2O2 was significantly suppressed, surviving fractions of cells exposed to AC remained almost unchanged. Growth conditions, modifying the intracellular level of catalase of E. coli, affected the sensitivity of cells to AC-exposure.
Separations of Biofuels and Bioproducts via Magnetic Mesoporous Carbons

The in-situ recovery of n-butanol from conventional batch fermentation is an effective strategy to overcome cytotoxic titer limitations. Here, we demonstrate efficient butanol recovery using magnetically responsive micro/mesoporous carbon adsorbents. While large surface areas (>1400 m2/g) promote adsorption, inclusion of magnetic Ni nanoparticles enables direct and facile magnetic retrieval of spent adsorbents, bypassing the need for column configurations (e.g., packed or expanded bed). Butanol loading capacities of a family of mesoporous powders (4-10 wt% Ni content) are not significantly impacted by Ni content, performing comparably to commercial resins and activated carbons (e.g., up to 0.26 g/g at 12.5 g/L equilibrated butanol). Magnetic recovery of the mesoporous powder is dependent on the Ni content, with up to 89 wt% recovery achieved in 6 min with 10 wt% Ni. Desorption studies using retrieved adsorbents demonstrated an average of 93% recovery of the total adsorbed butanol. Biocompatibility studies using an Escherichia coli model showed no discernable toxicity, even at high Ni content and levels of adsorbent addition. Kinetic studies indicate that neither the effective adsorption or desorption rates should constitute a bottleneck with respect to the future development of a semi-continuous butanol fermentation process using these novel, magnetically responsive adsorbents. This work was published as:
Effects of Silica Surfaces on the Structure and Dynamics of Room Temperature Ionic Liquids: A Molecular Dynamics Simulation Study

Room temperature ionic liquids (ILs) at solid surfaces have been recognized for their significant interfacial properties in electrochemical and electronic devices. To ascertain the interface effects, we investigate dynamical and structural properties of two ILs in nanoscale confinement at various temperatures. Specifically, we perform all-atom molecular dynamics simulations for ILs composed of 1-butyl-3-methylimidazolium cations and hexafluorophosphate ([Bmim][PF6]) or tetrafluoroborate ([Bmim][BF4]) anions sandwiched between amorphous silica slabs. Density profiles of the ionic species across the slit reveal that [PF6] and [BF4] anions tend to stay closer to the slab wall than [Bmim] cations resulting in a bi-layered arrangement in the interfacial region. For the cations, we observe a preferred orientation at the surface with the methyl groups pointing towards the wall and the butyl tails projected inwards. Mean square displacements and incoherent scattering function reveal slowed and heterogeneous dynamics of all ionic species in the slit pore. In particular, spatially resolved analyses show that the structural relaxation times increase by about two orders of magnitude when approaching the silica surfaces, an effect to be considered when designing applications. The altered structural and dynamical features of the confined ILs can be related to an existence of preferred sites for the anions on the amorphous silica surfaces. Detailed analyses of relations between the broadly distributed site and surface properties show that particularly stable anion sites result when triangular arrangements of silanol groups enable multiple hydrogen bonds with the various fluorine atoms of a given anion, elucidating an important trapping mechanism at the silica surface.
Kinetics of radical copolymerization of vinylidene fluoride with tert-butyl 2-trifluoromethyl acrylate: a suitable pair for the synthesis of alternating fluorinated copolymers

The kinetics of the radical copolymerization of vinylidene fluoride (VDF) with tert-butyl 2-trifluoromethacrylate (MAF-TBE) initiated by tert-butyl peroxypivalate in solution is presented. The evolution of the microstructure and molecular weights of such resulting poly(VDF-co-MAF-TBE) copolymer was monitored using 19F nuclear magnetic resonance spectroscopy and gel permeation chromatography over the whole conversion range. In the early stage of the polymerization, an equimolar composition of VDF and MAF-TBE in the copolymer was observed until the total conversion of the latter. Subsequently, the polymerization of VDF was achieved leading to a mixture of poly(VDF-alt-MAF-TBE) copolymers and PVDF homopolymer chains. Closer investigation of the copolymerization was performed by synthesizing a series of seven copolymerization reactions from initial [VDF]0/[MAF-TBE]0 molar ratios ranging between 25/75 and 90/10. The kinetics of copolymerization led to the assessment of the reactivity ratios of both comonomers according to the Mayo–Lewis method and yielded rVDF = 0.0399 and rMAF-TBE = 0.0356 at 57 °C, evidencing an alternating copolymerization. The Q and e values of MAF-TBE were deduced to be 1.312 and 3.0, respectively.
Gypsum, bassanite, and anhydrite at Gale crater, Mars

Abstract Analyses by the CheMin X-ray diffraction instrument on Mars Science Laboratory show that gypsum, bassanite, and anhydrite are common minerals at Gale crater. Warm conditions (~6 to 30 °C) within CheMin drive gypsum dehydration to bassanite; measured surface temperatures and modeled temperature depth profiles indicate that near-equatorial warm-season surface heating can also cause gypsum dehydration to bassanite. By accounting for instrumental dehydration effects we are able to quantify the in situ abundances of Ca-sulfate phases in sedimentary rocks and in eolian sands at Gale crater. All three Ca-sulfate minerals occur together in some sedimentary rocks and their abundances and associations vary stratigraphically. Several Ca-sulfate diagenetic events are indicated. Salinity-driven anhydrite precipitation at temperatures below ~50 °C may be supported by co-occurrence of more soluble salts. An alternative pathway to anhydrite via dehydration might be possible, but if so would likely be limited to warmer near-equatorial dark eolian sands that presently contain only anhydrite. The polyphase Ca-sulfate associations at Gale crater reflect limited opportunities for equilibration, and they presage mixed salt associations anticipated in higher strata that are more sulfate-rich and may mark local or global environmental change. Mineral transformations within CheMin also provide a better understanding of changes that might occur in samples returned from Mars.