Miracle-dz/UniFAR-FTUs huggingface dataset:
\(Pyrococcus\) \( furiosus\) amylase as a Candidate Sterilisation Time-Temperature Integrator

Thermal treatment is the most common method used by industry to ensure food is safe for consumption and to increase storage life. To ensure safety, food is often over processed, which can significantly affect its nutritional value as well as taste and flavour attributes. In this study a candidate sterilisation time-temperature integrator (TTI) from the hyperthermophilic Pyrococcus furiosus \(\alpha\)amylase is investigated. Reliability and accuracy of the TTIs was determined by exposure to various isothermal and non-isothermal industrially relevant temperature profiles. The integrated temperature history obtained by the TTIs correlated generally well with the data obtained from thermocouples installed, although the error increased with hold time of heat treatment. The work showed that the TTIs can be used reliably over a range (3-25 minutes at 121°C) which is relevant for conditions of thermal sterilisation. This was measured by developing a new assay technique for assaying the activity of hyperthermophilic \(\alpha\)-amylase within the food industry. The assay was calibrated against more laboratory relevant assays and computational models. The kinetics and mechanism of thermal denaturation of Pyrococcus furiosus \(\alpha\)-amylase was determined through FT-IR, DSC and CD techniques. It was found that through thermal denaturation after the melting temperature (Tm), the enzyme unfolded by first order kinetics from a \(\alpha\)-helical structure, through \(\alpha\)-sheet structure to aggregation of the enzyme.
The conformation of an alamethicin in methanol by multinuclear NMR spetroscopy and distance geometry/simulated annealing

The solution conformation of the antibiotic peptide alamethicin was investigated using multi‐nuclear spectroscopy and the distance geometry/simulated annealing algorithms from the program DSPACE. 1H‐, 13C‐, and 15N‐nmr chemical shifts and homonuclear 1H coupling constants suggest that the molecule is flexible in the vicinity of Gly‐11 and Leu‐12. The temperature dependence of the amide proton chemical shifts indicates that there is flexibility in the middle of the 20 residue peptide and provides evidence that, at the very N‐terminus, the molecule adopts a 310‐helical conformation. The large differences in the 13C chemical shifts of the pro‐R and pro‐S methyls of the α‐aminoisobutyric acid residues were used to constrain those residues to the right‐handed helical conformation in the distance geometry/simulated annealing algorithms. A family of 24 structures was generated but did not converge to a common conformation when superimposed over the entire polypeptide sequence. The molecules did converge to a helical conformation over residues 1–10 and residues 13–18. The lack of convergence when the entire lengths of the molecules are superimposed is explained by the flexibility of the peptide near Gly‐11/Leu‐12. The results suggest that the protein consists of two helices connected by a flexible “hinge. ” The flexibility of the molecule is discussed with respect to the macrodipole model of voltage gating. © 1995 John Wiley & Sons, Inc.
Assessment of the surface chemistry of wood-derived biochars using wet chemistry, Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy

In order to understand the reactivity of biochar in soil, we thoroughly examined the carbonaceous surface of different biochars, paying particular attention to the distribution of oxygen-containing functional groups. Biochar was produced from pine, poplar and willow at two different temperatures (400 and 550°C) and characterised using elemental analysis and wet chemistry (Boehm and potentiometric titrations, cation-exchange capacity (CEC) measurement). In addition, Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) analyses were performed on both untreated and acid-washed biochar samples. Qualitative relationships were observed between data generated from the titration methods under investigation and XPS analyses, both describing the general distribution of oxygen-containing surface functional groups. Total acidity of biochar ranged widely, between 32 and 1067 mmol kg–1, and was mostly attributed to the presence of hydroxyl or phenol groups. The number of functional groups containing oxygen decreased with increasing pyrolysis temperature, mainly because of a decrease in the content of phenol groups. A quantitative comparison of titrations and CEC (i.e. biochar’s ion-exchange capacity) measurements was compromised by a masking effect caused by the biochar’s inorganic fraction (<8%). An acid-washing step with nitric acid was shown not to alter the biochar surface systematically. The use of potentiometric titrations with an acid-washing pretreatment proved to be suitable to quantify biochar acidic functional groups, and hence biochar acidity.
Synthesis and physicochemical properties of graphene/ZrO2 composite aerogels

Aerogel materials possess a wide variety of exceptional properties, including a quite low density, high specific surface area, high porosity, etc. Considering that both graphene aerogels and ZrO2 aerogels have advantages and disadvantages respectively, graphene/ZrO2 composite aerogels are prepared, by a facile step, to enable them to have low thermal conductivity and to enhance the electronic interaction between the ZrO2 nanoparticles and graphene sheets. The chemical composition and crystalline structure of the resulting graphene/ZrO2 composite aerogels, as well as the strong interaction between the graphene sheets and the ZrO2 nanoparticles, have been disclosed by X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and X-ray powder diffraction (XRD). The morphology and hierarchically porous attributes of the resulting graphene/ZrO2 composite aerogels have been investigated using scanning electron microscopy (SEM), transmission electron microscopy (TEM) and nitrogen adsorption–desorption tests. The mechanical properties, electrical conductivity, electrochemical properties and thermal conductivity (as well as thermal stability) of the resulting graphene/ZrO2 composite aerogels have also been revealed in this study.
CONTROLS ON THE SORPTION OF DISSOLVED ORGANIC CARBON BY SOILS

Dissolved organic carbon (DOC) sorption isotherms were determined for 48 soil samples derived from Humaquepts, Inceptisols, and Spodosols using a DOC solution derived from a swamp peat (Hemist). Forty-six of the samples had DOC sorption adequately represented by the linear initial mass isotherm, with initial DOC concentrations up to 81 mg L−1. Null-point DOC concentrations (DOCnp), where there is zero net DOC sorption, ranged from 6.7 to 85.4 mg L−1, with an average regression coefficient of 0.45. Distribution coefficients (Kd) averaged 1.00 × 10−2 m3 kg−1, suggesting that DOC sorption by soils is of moderate strength compared with anions such as Cl−, NO3−, PO4− and SO42−. DOCnp values were strongly related to contents of soil organic C (positive) and oxalate-extractable Al and dithionite-extractable Fe (both negative) using partial regression analysis (R2 = 0.41–0.61, P 0.001). A multiple regression with these three variables explained 70% of the variance in DOCnp. The sorption regression coefficient and reactive soil pool for DOC were also positively related to soil organic C content, with an average of 3.2% of the organic C in the soil being part of the DOC reactive pool.
Batter and Product Quality of Eggless Cakes Made of Different Types of Flours and Gums

The study aimed to evaluate the batter and product quality of eggless cake under the combination of three types of wheat flours and two types of hydrocolloids including carboxymethyl cellulose (CMC) and xanthan (Xan). An eggless cake formula was established using whey protein concentrate, soybean oil and emulsifiers to substitute for the protein in egg white and the oil and lecithin in egg yolk. Wheat flour with higher protein content decreased batter viscosity and pH, increased batter-specific gravity and made eggless cakes with higher water activity, firmness, cohesiveness and resilience, but with lower baking loss, pH and springiness. Eggless cakes with hydrocolloids had higher batter viscosity and specific gravity compared with controls. Xan made cakes with the lowest baking loss and highest water activity and firmness. CMC-prepared cakes exhibited the lowest firmness but had the highest springiness and resilience. Optimum eggless cakes were made from Xan cake flour and CMC bread flour. Practical Applications The use of vegetable proteins for total replacement of eggs in cake formulations is in demand for the consumers with specific dietary needs or restrictions. However, the high quality of eggless cake is still a major challenge for the baking industry. Decreased quality of eggless cake is frequently associated with lower foam ability and stability of whey proteins, and weaker crumb structure as well, resulting in cake collapse or smaller volume and coarse crumb. In the study, whey protein was used to totally replace egg white as foaming reagent. The combination of wheat flour and hydrocolloid could increase batter viscosity to retain bubbles during the early stage of baking, and improve the strength of crumb structure, leading to the high quality of eggless cakes.
CIS-Type PV Device Fabrication by Novel Techniques; Phase I Annual Technical Report, 1 July 1998 - 30 June 1999

This report describes work performed by International Solar Electric Technology, Inc. (ISET) during phase I of the R&D partnership subcontract titled ''CIS-Type PV Device Fabrication by Novel Techniques. '' The objective of this program is to bring ISET's novel non-vacuum CIS technology closer to commercialization by concentrating on issues such as device-efficiency improvement, larger-bandgap absorber growth, and module fabrication. Advances made in CIS and related compound solar cell fabrication processes have clearly shown that these materials and device structures can yield power conversion efficiencies in the 15%-20% range. However, many of the laboratory results on CIS-type devices have been obtained using relatively high-cost vacuum-based deposition techniques. The present project was specifically geared toward developing a low-cost, non-vacuum ''particle deposition'' method for CIS-type absorber growth. There are four major processing steps in this technique: (i) preparation of a starting powder containing all or some of the chemical species constituting CIS, (ii) preparation of an ink using the starting powder, (iii) deposition of the ink on a substrate in the form of a thin precursor layer, and (iv) conversion of the precursor layer into a fused photovoltaic absorber through annealing steps. During this Phase I program, ISET worked on tasks that were geared toward the following goals: (i) elimination of back-contact problems, (ii) growth of large-bandgap absorbers, and (iii) fabrication of mini-modules. As a result of the Phase I research, a Mo back-contact structure was developed that eliminated problems that resulted in poor mechanical integrity of the absorber layers. Sulfur inclusion into CIS films through high-temperature sulfurization in H{sub 2}S gas was also studied. It was determined that S diffusion was a strong function of the stoichiometry of the CIS layer. Sulfur was found to diffuse rapidly through the Cu-rich films, whereas the diffusion constant was at least three orders of magnitude smaller in Cu-poor layers. Additionally, S profiles in sulfurized CIS films were correlated with the distribution of the grain size through the film. Absorbers containing large concentrations of Ga near the Mo contact interface also had large S content in that same region due to the small grain size of the Ga-containing material. New work on monolithic integration procedures overcame the problem of low shunt resistance and yielded CuIn(S,Se){sub 2} (CISS) mini-modules of about 64-cm{sup 2} area with close to 7% efficiency.
Study of particle morphology in polymer emulsions and their minimum film formation temperatures

In the present paper, the emulsion polymerization of methyl methacrylate–butyl acrylate and styrene–ethyl acrylate were carried out. Polymer emulsions with latex particles of different morphology were prepared. The relationship between the minimum film formation temperature of the polymer latexes and the morphology of the latex particles were studied, and the film-forming mechanism of the polymer latexes with varied particle morphology was also discussed.
Adsorption of Copper (II) and Nickel (II) Ions on Chitin/Polyvinyl Alcohol Binary Blend: Kinetics and Equilibrium Studies

The presence of toxic heavy metals in electroplating industrial effluent is a pervasive and serious pollution problem. The ability of chitin binary blend as an adsorbent for Cu and Ni ions in aqueous solution was studied. Chitin was blended with poly(vinyl alcohol) in the presence of formaldehyde as a cross linking agent. Removal of Cu and Ni has been found to be pH, contact time and adsorbent dosage dependent. Adsorption isotherm studies indicated that the adsorptive behavior of metal ions on chitin/PYA binary blend satisfies Freundlich assumptions and follows pseudo second order kinetic model. Results show that the chitin/PVA binary blend is a good adsorbent for the removal of copper and nickel ions from metal solution.
Sulfate-Mediated Bacterial Population Shift in a Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX)-Degrading Anaerobic Enrichment Culture

ABSTRACT The effects of sulfate on the population dynamics of an anaerobic hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX)-degrading consortium were studied using terminal restriction fragment length polymorphism (T-RFLP) analysis. One hundred percent of the initial RDX was degraded in the sulfate-amended culture within 3 days of incubation. In the sulfate-unamended cultures, 35% of the initial RDX remained after 3 days and 8% after 7 days of incubation. Based on the T-RFLP distribution of the community 16S rDNA genes, the microcosm consisted predominantly of two organisms, a Geobacter sp. (78%) and an Acetobacterium sp. (14%). However, in the presence of sulfate, both species decreased to less than 3% of the total population within 3 days and an unclassified Clostridiaceae became the dominant organism at 40% the total fragment distribution. This indicated the explosive-degrading consortium had greater diversity than initially perceived and rapidly adapted to a readily available electron acceptor, which in turn stimulated RDX degradation.
One-step synthesis of fluorescent silicon quantum dots (Si-QDs) and their application for cell imaging

Novel fluorescent silicon quantum dots (Si-QDs) were synthesized by a one-step hydrothermal procedure using (3-aminopropyl)trimethoxysilane (APTES) as a silicon source and sodium ascorbate (SA) as a reducing agent. This synthetic strategy is straightforward, efficacious and low-cost. The as-synthesized Si-QDs featured narrow size distribution, intense purple-blue fluorescence with a photoluminescence quantum yield (PL QY) of 21%, complete water solubility, and favorable biocompatibility. Moreover, the resultant Si-QDs present robust stability in different circumstances, such as for long-term storage in air, in a wide pH range of 2–12 and under continuous UV irradiation, and they also do not respond to some metal ions. Their superior stability and safety render Si-QDs applicable as fluorescent probes in biomedical applications. The use of Si-QDs as an optical probe is illustrated by fluorescent imaging of IE8 cells.
Kinetics of gypsum dehydration at reduced pressure: an energy dispersive X-ray diffraction study

Gypsum (CaSO4 center dot 2H(2)O) dehydration kinetics were investigated through energy dispersive X-ray diffraction (EDXD), under reduced pressure (100 Pa), in the temperature range 313-353 K. The process follows the JMAK (Johnson-Mehl-Avrami Kinetic) model. The fitting procedure of the Arrhenius expression provides an activation barrier of 18(2) kcal/mol. Under these experimental conditions, dehydration proceeds via a single-step conversion path gypsum --> gamma-anhydrite. Separate experiments of bassanite (CaSO4 center dot 0.5H(2)O) dehydration, carried out at similar conditions, indicate, as expected, a faster process gamma-anhydrite being the final product. According to the structural relationships between bassanite and gamma-anhydrite, dehydration should occur via the escape of water molecules along the axis of the channel (c axis) following a one-dimensional behaviour. Therefore, no Avrami model (which implies nucleation and growth of a new phase) can be applied.
Monomers for Adhesive Polymers, 4†

Bicyclic functionalized methacrylates were synthesized by a Diels-Alder reaction of furfuryl methacrylate with maleic anhydride and subsequent conversion to the corresponding monomers containing carboxylic groups. The structure of the bicyclic functionalized methacrylates was confirmed by elemental analysis, 1R, 1H NMR and 13C NMR spectroscopy. The radical photopolymerization of bicyclic monomethacrylates in dimethylformamide with 2,2′azobisisobutyronitrile (AIBN) resulted in soluble polymers while a bicyclic dimethacrylate resulted in a crosslinked polymer.
Easier Said Than Done? Task Difficulty's Influence on Temporal Alignment, Semantic Similarity, and Complexity Matching Between Gestures and Speech

Abstract Gestures and speech are clearly synchronized in many ways. However, previous studies have shown that the semantic similarity between gestures and speech breaks down as people approach transitions in understanding. Explanations for these gesture–speech mismatches, which focus on gestures and speech expressing different cognitive strategies, have been criticized for disregarding gestures’ and speech's integration and synchronization. In the current study, we applied three different perspectives to investigate gesture–speech synchronization in an easy and a difficult task: temporal alignment, semantic similarity, and complexity matching. Participants engaged in a simple cognitive task and were assigned to either an easy or a difficult condition. We automatically measured pointing gestures, and we coded participant's speech, to determine the temporal alignment and semantic similarity between gestures and speech. Multifractal detrended fluctuation analysis was used to determine the extent of complexity matching between gestures and speech. We found that task difficulty indeed influenced gesture–speech synchronization in all three domains. We thereby extended the phenomenon of gesture–speech mismatches to difficult tasks in general. Furthermore, we investigated how temporal alignment, semantic similarity, and complexity matching were related in each condition, and how they predicted participants’ task performance. Our study illustrates how combining multiple perspectives, originating from different research areas (i.e., coordination dynamics, complexity science, cognitive psychology), provides novel understanding about cognitive concepts in general and about gesture–speech synchronization and task difficulty in particular.
How particles affect UV light in the UV Disinfection of Unfiltered Drinking Water

This study assessed the impact of suspended particles on both ultraviolet (UV) dose transmission and spectrophotometric absorbance measurement for unfiltered raw water with turbidity up to 10 ntu. Results from bench‐scale collimated beam experiments indicated that a low percentage of total incident UV light was attenuated by particles at 5 ntu turbidity. However, at a set applied UV dose, when particles were added to achieve turbidity from 1 to 10 ntu, the average dose in the collimated beam reactor decreased from 5 to 33%, respectively. This suggests that spikes in particles entering a UV reactor, if not adjusted and accounted for, may compromise lethal delivery of UV energy. UV absorbance coefficients, measured using direct and integrating sphere spectroscopy (which accounts for scattering effects by particles) were significantly different, suggesting that suspended particles in unfiltered water both absorb and scatter UV light. When absorbance, measured using the direct method, was used to model the average irradiance in a UV reactor, the average UV irradiance was underestimated by 3 to 20% at turbidity of 3 to 10 ntu, respectively, compared with irradiance calculations made using integrating sphere absorbance measurements. This analysis suggests that UV systems designed based on direct absorbance measurements of unfiltered waters with turbidity above 3 ntu may be overly conservative.
Calculations of sink strength and bias for point-defect absorption by dislocations in arrays

Abstract Calculations of sink strength and bias are presented for arrays of edge dislocations constituting low-angle grain boundaries or deviations from perfect coincidence misorientations in high-angle grain boundaries. It is shown that the sink strength of an array increases as the dislocation spacing decreases: this also causes a strong decline in the bias. If a given Burgers vector content is arranged as a finer array of dislocations of smaller Burgers vectors, the resulting sink strength is higher and the bias lower.
An evaluation of cetane sensitivity in low-temperature combustion and options to compensate for market cetane variation

A single-cylinder engine was used to assess the sensitivity of emissions, noise and fuel consumption to variation in cetane number when operated in low temperature combustion both with and without the application of compensation strategies. Without compensation, changes in cetane caused greater variability in all of the parameters studied when operated in low temperature combustion as compared to conventional diesel combustion. Correcting combustion phasing was explored by adjusting three different parameters: start of injection timing, burnt gas fraction and intake manifold temperature. None of these methods were able to achieve substantially equivalent combustion and emissions across all fuels evaluated. Large variations in hydrocarbon and particulate emissions were observed when start of injection was adjusted to correct combustion phasing. Adjusting the burnt gas fraction caused large differences in nitrogen oxides and noise, particularly with low cetane fuels. Finally, intake manifold temperatures low enough to reach the target combustion phasing with the higher cetane fuel were unachievable, suggesting that this method would not be viable as a production solution. It was concluded that the most effective way to ensure robust combustion and emissions in low temperature combustion is to reduce ignition delay variability by refining the fuel specification, either through tighter control over the cetane number range or by shifting the fuel specification toward higher cetane number, where ignition delay is less sensitive to changes in cetane rating.
Graphene Amplification by Continued Growth on Seed Edges

Large-area single-layer graphenes with high crystallinity are desired for electronic applications. Here we demonstrate a continued growth method to amplify an existing graphene seed, originally grown by chemical vapor deposition, by preferentially inducing nucleation at seed edges. More specifically, this approach involves a surface oxidation step after the first growth, which leads to the observed formation of oxides at the vicinity of graphene edges, along with the inevitable formation of cracks due to oxidation, and thus limit growth predominantly at those edges, as a consequence of the reduced energy barrier of methane decomposition by oxygen moieties. Consequently, we successfully grow millimeter-size secondary single-crystal graphene structures with the same lattice structure and orientation as the original seeds. Selected area electron diffraction (SAED), Raman spectroscopy characterization, along with electronic transport measurement confirmed the structure coherence after the regrowth, even in th.