Miracle-dz/UniFAR-FTUs huggingface dataset:
Method development for biomolecular solid-state NMR spectroscopy

The investigation of the structure and dynamics of biomolecules is fundamental for the understanding of their functional activity. Solid-state Nuclear Magnetic Resonance (NMR) spectroscopy provides a methodology to access both at an atomic level. Traditionally, solidstate NMR employs the detection of heteronuclei with low gyromagnetic ratios, which compromise the spectral sensitivity. Protons have the largest gyromagnetic ratio and their direct detection is, in principle, most beneficial in terms of sensitivity. As opposed to molecules in solution, for which 1H,1H dipolar couplings are averaged to zero by molecular tumbling, these interactions are retained in the solid-state and cause severe line broadening. Deuteration chemically dilutes the 1H,1H dipolar coupling network and was recently shown to enable proton detection of amide and methyl resonances in perdeuterated and selectively Ile/Leu/Val methyl-labeled protein samples, respectively. Resonances, other than methyls, however, could not be observed in deuterated samples, so far. In particular, 1Hα,13Cα sites are important probes for structure and dynamics. In this thesis, a novel labeling scheme for solid-state NMR spectroscopy, the Reduced Adjoining Protonation (RAP) scheme, is introduced, which allows proton detection of all aliphatic sites, as shown for the microcrystalline SH3 domain of α-spectrin. The protein was expressed in E. coli, using a minimal medium, containing uniformly deuterated 13Cglucose and 5-25% H2O (95-75% D2O), respectively. These samples yield high-resolution, 1H-detected 1H,13C correlation spectra. The proton line widths are on the order of 0.040. 1 ppm (25-60 Hz at a 1H Larmor frequency of 600 MHz), employing scalar coupling based magnetization transfers at a Magic Angle Spinning (MAS) frequency of 20 kHz, while high-power decoupling of protons was not required. In addition, the benefit of high MAS frequencies was investigated. We find, that the sensitivity can be increased by a factor of 4-4.5, raising the MAS frequency from 20 kHz to 60 kHz. 1Hand 13C-detected 3D assignment experiments are implemented, which allowed us to assign 90% of the 1Hα,13Cα backbone and side chain resonances of α-spectrin SH3. As the chemical shift is dependent on the structural motif, it can be employed to derive secondary structure information. Furthermore, a 1H-detected H(H)CH 3D experiment is introduced, to obtain long-range 1H,1H contacts, which can be used for the determination of the tertiary structure.
Carbon Dioxide Equilibria and their Applications

REVIEW OF SOLUBILITY AND PH CALCULATIONS. Converting Chemical Models to Mathematical Problems. Logarithmic and Exponential Functions. A Note on Calculators. Strong Acids and Bases. Weak Acids. Titration with Strong Base. Weak Bases. Polyprotic Acids. Buffers. Solubility Product. THE BASIC EQUATIONS. Henry's Law. Hydration. Ionization. pH Dependence, Constant Partial Pressure. The Charge Balance in the Presence of Base. Alkalinity. Acidity. Solution without Gas Phase. Charge Balance and Proton Condition. Relation between Alkalinity, pH, and CT. Acidity with Constant CT. A Note on Concentration Units. Ionic-Strength Effects. The Davies Equation. Effect of Ionic Strength on KH. Effect on Ionic Strength on First Acidity Constant Ka1. Effect of Ionic Strength on Second Acidity Constant Ka2. Effect of Ionic Strength on Ion Product of Water. Effect of Ionic Strength on Solubility Product of CaCO3. THE ALKALINITY TITRATION CURVE. The Titration Curve Equation. Titration Error. Effect of Ionic Strength. Total Alkalinity and Carbonate Alkalinity. Linearized (Gran) Titration Curves. Linearizing the Acid Portion of the Alkalinity Titration. Linearizing the HCO3 Region. Other Linearized Portions of the Alkalinity Titration Curve. The CO3 Equivalence Point. Alkalinity Titration in Seawater. The Buffer Index. Buffer Index at Constant CT. Buffer Index at Constant P. SOLUBILITY EQUILIBRIA: CALCIUM CARBONATE. Calcium Carbonate, Carbon Dioxide, and Water. Dolomite. Addition of Strong Base or Strong Acid at Constant P. Limited Amount of CaCO3 in the Presence of Strong Acid. Solution without Gas Phase. Addition of Strong Acid or Base in the Presence of CaCO3 without Gas Phase. Limited Amount of CaCO3 at Constant CT. Buffer Index at Constant P with CaCO3 Present. Buffer Index at Constant CT With CaCO3 Present. Buffer Index with Constant D. APPLICATIONS TO GEOCHEMISTRY AND OCEANOGRAPHY. Rainwater. Acid Rain. River Water. Unsaturated CaCO3 as a Model for River and Groundwater. Saturated CO2, CaCO3, and H2O as a Model for River and Groundwater. Other Components of River Water. Seawater. Seawater as a Constant Ionic Strength Medium. Ion Pairing in Seawater. Total Alkalinity and Carbonate Alkalinity in Seawater. Field Observations of Seawater. The Lysocline. Effect of Increased Atmospheric CO2 on the Oceans. Fresh Waters and Estuarine Waters. Brines. Hydrothermal Solutions. ENGINEERING APPLICATIONS: WATER CONDITIONING. Estimation of Ionic Strength. pH Adjustment by Addition of Acid or Base. Addition or Removal of CO2. Addition of Lime. Addition of Limestone. The Langelier Index of CaCO3 Saturation. Corrosion Inhibition. The Lime-Soda Water Softening Process. Stoichiometric Calculations. Formulation as an Equilibrium Problem. Recarbonation. Chemical Coagulation and Flocculation. Removal of CO2 from Process Gas. APPENDIXES. SUMMARY OF IMPORTANT RESULTS. The Basic Equations. The Alkalinity Titration Curve. Solubility Equilibria: Calcium Carbonate. Applications to Geochemistry and Oceanography. Engineering Applications: Water Conditioning. USEFUL DATA TABLES. ANNOTATED BIBLIOGRAPHY. INDEX. FEATURE:
The community structure of Lake Kinneret (Israel) microorganism populations: size distribution and succession

The abundance and succession of bacterial populations, and their biovolume has been studied in the deepest station of Lake Kinneret, Israel during spring–summer. These parameters were then related to the chemical, biological and physical/hydromechanical conditions in the lake. Medium sized cells (2–3 μm) dominated the bacterial population in the spring, then in mid-summer the smaller cell fraction (1 μm) took over. Relatively low numbers of large cells (10 μm) were counted, but the biovolume of this fraction was significant, especially in mid-summer. Both the abundance and biovolume of medium sized cells were positively correlated with NH 4 + and O 2 concentrations, but not with NO 3 – , inorganic orthophosphate (Pi) and Total-P. At water temperatures above 28°C, the biovolume of medium sized cells decreased, probably due to faster grazing of zooplankton. When water circulation in the vertical plane was dominant, large cells disappeared from the water column, due to sinking to the bottom. We conclude that chemical parameters, such as NH 4 + and O 2 concentrations, had a long-term effect on bacterial succession and size distribution, whereas hydromechanical mechanisms, such as turbulent mixing in the horizontal or vertical planes, had a short-term effect.
Chemical Studies on the Oriental Plant Drugs. XXXVI. Structure of Licoricone, a New Isoflavone from Licorice Root

A new isoflavone, licoricone, C22H22O6, mp 250-251°, was isolated from the root of Glycyrrhiza uralensis FISCH, et DC. The chemical structure of licoricone was studied spectroscopically to lead a partial formula (VII). Finally an X-ray crystallographic analysis of its monobromoacetate (VIII) was undertaken to formulate licoricone as I.
Effects of Pressure Gradients on Turbulent‐Boundary‐Layer Wall‐Pressure Fluctuations

Spectral density, magnitude of the normalized longitudinal and lateral cross‐spectral‐density functions, and convection‐velocity ratio as a function of longitudinal separation and frequency of wall‐pressure fluctuations were measured with small flush‐mounted transducers. These measurements were accomplished in both mild adverse and mild favorable pressure gradients in a low‐turbulence subsonic wind tunnel. To establish a basis of comparison, similar measurements were made for the zero pressure gradient, and agreement with published measurements was excellent. The effect of an adverse pressure gradient on the nondimensionalized spectral density was an increase in the low‐frequency content without influencing the high‐frequency portion appreciably; a sharp decrease in the high‐frequency portion was observed for the favorable pressure gradient. At similar nondimensionalized longitudinal separations and frequencies, the convection velocity ratio was higher in the favorable and lower in the adverse pressure gradients. The longitudinal decay of a particular eddy was more rapid in the adverse and slower in the favorable pressure gradients. No differences were found in the lateral cross‐spectral density for the different pressure gradients.
Organic Emissions from a Wood Stove and a Pellet Stove Before and After Simulated Atmospheric Aging

Logwood and pellet stoves are popular heating sources around the world. The particulate matter emitted from such stoves contains organic particulate matter (OM), soot, and ash, each of which may have significant effects on climate and health. In this study, the primary OM (POM) emitted from a wood stove and a pellet stove operated according to standard Swiss testing protocols were characterized using aerosol mass spectrometry. The POM mass spectra were found to be highly reproducible, and contained CO+ as the dominant ion. Because the POM emitted by such stoves is typically enhanced by the condensation of gaseous organics following atmospheric aging, the secondary OM (SOM) formation potential of these stoves was simulated using the Micro Smog Chamber (MSC) designed by Keller and Burtscher in 2012. In general, OM emission factors from MSC-aged aerosols were comparable to lower-time-resolution results from the literature, although the MSC exposed aerosols to much higher concentrations of oxidants and therefore produced OM that was more oxidized than expected for atmospheric samples. In addition, the logwood-stove particles remained highly aspherical even after oxidation, indicating that mixing with an external aerosol is required for these particles to become spherical. The one exception to this observation occurred when the wood failed to ignite and appeared to generate tar-ball OM particles.
Polymorphism of the promote region of chicken insulin like growth factor-1 and association with bone abnormalities.

The insulin like growth factor-1(IGF-1) is important regulators in stimulating growth, protein synthesis, cell proliferation and differentiation in a variety of cell types. To achieve this goal, blood samples were collected from 50 Gallus gallus affected from bone abnormalities (distortion) and 50 samples a control group from the Animal farm/ College of Veterinary medicine/ University of Baghdad. DNA was isolated and the IGF-1genewas amplified by using specific primers for promoter region and 5' UTR of this genes, then DNA sequencing was performed by using AB13730XL, (Applied Bio system, Macro Gen company, USA). The DNA sequencing results of flank sense of IGF-1gene from a control group was found to be compatible 100% with wild type of Gallus gallus from the Gene Bank. On the other hand, sequencing results of the same gene from 35cases abnormalities (distortion) revealed of 99% compatible and score 1351 and expect 0.0 with the wild type sequences of gene bank. The minor differences could be attributed to two transversion substitutions of (G>T,T>G) and (C>T) on locations 404, 104, and 249 nucleic acid respectability. Fifteen cases of bone abnormalities (Distortion) of Gallus gallus, 99% compatibility have one Transversion substitution G>T on position 404 andone transition substitution (C>T) on 249 positions, under number Sequence ID: gb|JX414253.1|. In conclusion, our case study suggests that polymorphisms of IGF-1gene are strongly associated with vertebrate growth and development of some chicken breeds in Iraq. The aim of this study is to identify the genetic polymorphisms of IGF-1gene and its association with vertebrate growth and development of some chicken breeds in Iraq.
An explanation of linear increases in gas concentration under closed chambers used to measure gas exchange between soil and the atmosphere

Earlier models describing the accumulation of gases under closed chambers are based on the assumption of a constant concentration source that does not change during the time of chamber deployment. A new model is proposed which is based on the assumption of a constant production source, and takes into account possible changes in gas concentrations at the source during chamber deployment. Using N2O as an example, simulations have been carried out for different source strength and depth, diffusivities and air porosities. The main finding was a chamber‐induced increase in gas concentrations in the upper part of the soil profile, including the depth where the N2O source is located. The increase started immediately after chamber closure. Nevertheless, fluxes calculated from increasing concentrations within the chamber's headspace were always less than those expected under undisturbed conditions, i.e. in the absence of a chamber. This was due to a proportion of the gas produced being stored within the soil profile while the chamber was in place. The discrepancy caused by this effect increased with increasing air‐filled porosity and decreasing height of the chamber, and a procedure for correcting chamber flux measurements accordingly is proposed. The increase in soil gas concentrations after chamber closure was confirmed in a laboratory experiment.
Aspects of systems for separate urine collection and treatment - selected techniques and potential implementation in an urban context

I ZUSAMMENFASSUNG . II LIST OF FIGURES . X LIST OF TABLES . XIII LIST OF ABBREVIATIONS AND SYMBOLS . XV ACKNOWLEDGMENT . XVII PROLOGUE . XVIII A. INTRODUCTION . 1 A.1. Motivation . 1 A.2. Aim and structure of this work . 1 A.3. History and background . 2 A.3. 1. From the past to current sewer systems . 2 A.3. 2. Industrialization and the effects of the fertilizer industry . 3 A.3. 3. Need for alternatives . 4 A.3. 4. Alternatives with new sanitation approaches . 5 A.3. 5. Obstacles and requirements of new sanitation systems . 7 A.4. Consequences for urine separating systems . 8 A.4. 1. Aims of treatment of source separated urine . 8 Nutrient reduction in wastewater as a first action to reduce dead zones in densely populated costal regions with insufficient wastewater treatment . 8 Nutrient reduction at conventional wastewater treatment plants . 9 Improved anaerobic treatment (no subsequent nutrient removal required) . 10 Improved nutrient recovery . 10 Nutrient recovery for usage in agriculture . 10 Nutrient recovery for usage in industry . 11 A.4. 2. Frame, boundary conditions within the present thesis . 12 A.4. 3. Focus questions of investigation . 12 B. COLLECTION: PUBLIC URINALS – SUBSTRATE QUALITY AND CHARACTERISTICS . 13 B.1. Introduction . 13 B.2. Focus of investigation . 14
AE—Automation and Emerging Technologies: Specialist Neural Networks for Cereal Grain Classification

Abstract In the past few years, artificial neural networks have gained widespread acceptance for cereal grain classification and identification tasks. With the availability of different types of neural network architectures, the choice of the architecture for a particular task becomes crucial. It was hypothesized that robust specialist networks can be designed using a combination of simple networks having similar or different network architectures. To test this hypothesis, the classification accuracies of four simple network architectures (namely, back propagation network (BPN), Ward network, general regression neural network (GRNN) and probabilistic neural network (PNN)) were compared with the accuracies given by specialist networks. Each specialist network was designed using a combination of five simple networks, each specializing in classifying one grain type. The grain types used in this study were Canada Western Red Spring (CWRS) wheat, Canada Western Amber Durum (CWAD) wheat, barley, oats and rye. To evaluate the classification accuracy of the different neural network architectures, high resolution colour images of 7500 kernels (1500 kernels of each grain type) were taken for training and testing of networks. For each kernel, eight morphological features (namely, area, perimeter, length of major axis, length of minor axis, elongation, roundness, Feret diameter and compactness) and four colour features (namely, mean, median, mode and standard deviation of the grey-level values of the objects in the image) were extracted and used as input to the neural networks. Best classification accuracies (98·7, 99·3, 96·7, 98·4, and 96·9 for barley, CWRS wheat, CWAD wheat, oats and rye, respectively) were obtained using specialist probabilistic neural networks.
Low‐molecular‐weight organogelators as functional materials for oil spill remediation

Oil spills from tankers are one of the major types of man-made disasters that impact the marine environment, and they have been shown to have long-lasting effects. On prevention of the spread of oil through rapid cleanup of spills, low-molecular-weight organogelators have received much attention because of their ability to tune their properties through rational design. In this mini-review, I present a brief summary of studies focused on the remediation of oil spills via a chemical method, which involves the use of low-molecular-weight organogelators that form organogels with fuel oils or organic solvents. Moreover, recent attempts to create new improved molecular organogels composed of commercially available simple organogelators via a mixing induced enhancement method for solidifying oil are also discussed. In addition, polymer organogelators for oil spills are discussed in relation to low-molecular weight gelators. Copyright © 2015 John Wiley & Sons, Ltd.
Utilization of electroactive polymer actuators in micromixing and in extended-life biosensor applications

Polypyrrole (PPy)-based microactuators hold a promise for a wide variety of engineering applications from robotics and microassembly to biosensors and drug delivery systems. The main advantages of using PPy/Au actuator structures (vs competing solid-state actuator technologies) include ease of fabrication, low actuation energy, and large motion range of microactuators. We present advances in two areas of application - in the extended-life biosensor platform and in micromixers.
Detoxification of chromium-containing slag by Achromobacter sp. CH-1 and selective recovery of chromium

基于细菌的沥滤和细菌的冶金学的原则，为由无色菌 sp 的包含铬的炉渣的 detoxification 的一种新奇技术。 CH-1 和铬恢复被建议。 在 Cr (VI ) 减小前后的紧张 CH-1 房间形态学与一台扫描电子显微镜(SEM ) 被观察，并且减小产品被发现遵守 CH-1 房间的终端。 精力散的 X 光检查(EDX ) 和顺磁的回声(EPR ) 分析的电子表明减小产品的主要部件是 Cr (VI ) 。 而且，小、大规模的示范工程揭示那无色菌 sp。 能被用来除去包含铬的炉渣并且有选择地由使用这种新奇技术恢复铬。 有包含铬的炉渣和矿渣堆高度的减少的粒子尺寸的铬恢复率增加。 在 10 t/batch 和为包含铬的炉渣 detoxification 的所在地的示范工程的 20 t/batch 的铬恢复率是超过 90% 。
SKRINING FITOKIMIA, UJI AKTIVITAS, ANTIOKSIDAN DAN UJI SITOTOKSIK EKSTRAK METANOL PADA AKAR DAN KULIT BATANG SOMA (Ploiarium alternifolium)

Soma (Ploiarium alternifolium) merupakan tumbuhan yang banyak dijumpai di daerah rawa Kalimantan, Sumatera Selatan sampai Malaysi a dan berpotensi sebagai bahan obat anti kanker. Penelitian ini dilakukan untuk men getahui potensi soma sebagai bahan obat anti kanker. Penelitian ini telah dilakukan dengan beberapa tahap yakni dengan ekstraksi, skrining fitokimia, uji antioksidan dengan metode DPPH dan kandungan total fenol, serta uji sitotoksi k dengan metode BSLT. Hasil penelitian menunjukkan bahwa skrining fitokimia dari akar mengandung senyawa golongan alkaloid, flavonoid, polifenol dan saponin. Kulit batang mengandung senyawa golongan alkaloid, flavonoid, polifenol dan triterpenoid. Kandungan total fenol dari ekstrak kulit batang dan akar masing-masing sebesar 2,15 µg TAE/mg, dan 1,99 µg TAE/mg. Aktivitas antioksidan pada ekstrak kulit batang dan akar masing-masing sebesar 243,524 ppm dan 300,576 ppm, sedangkan vitamin C sebesar 5,372 ppm. Uji sitotoksik pada ekstrak kulit batang dan akar masing-masing sebesar 489,465 µg/ml dan 523,464 µg/ml. Berdasarkan hasil penelitian maka kulit batang dan akar soma berpotensi sebagai bahan obat anti kanker. Kata kunci: Ploiarium alternifolium , Theaceae, antioksidan, total fenol, sitotoksik, fitokimia
Design and Evaluation of a Mercury (II) Optode Based on Immobilization of 1-(2-Pyridylazo)-2-Naphthol on a Triacetylcellulose Membrane and Determination in Various Samples

The characterization of an optical sensor membrane is described for the determination of Hg 2+ ions based on the immobilization of 1-(2-pyridylazo)-2-naphthol (PAN) on a triacetylcellulose membrane. The membrane responds to mercury ions by changing color reversibly from orange to red in universal buffer solution at pH 6. Under optimum conditions, the proposed membrane displayed a linear range of 0.1-24 μg mL -1 with a limit of detection of, 0.02 μg mL - 1 at a wavelength of 558 nm. The response time of the optode was about 10-12 min, depending on the concentration of mercury (II) ions. The coefficients of variation (CV) of the sensor response for, 1.0 μg mL -1 of Hg (II) was, 1.8% and the CV between seven membranes was 2.3%. The sensor can readily be regenerated with the ethylene diamine solution. The optode is fully reversible and the selectivity of optode to Hg 2+ ions in universal buffer is relatively good with Co 2+ and Ni 2+ ions as interferences. The proposed optode was applied successfully for the determination of mercury (II) in various samples.
Removal of secbumeton herbicide from water on composite nanoadsorbent

AbstractWater contamination by organic pollutants is a major problem. Secbumeton herbicide is a toxic pollutant and contaminates our water resources. Composite nanoadsorbent was prepared, characterized, and used for the removal of secbumeton from water by adsorption process. Secbumeton in water was analyzed by GC–MS under validated conditions. The optimized adsorption parameters were 30.0 μg/L concentration, contact time 30.0 min, pH 7.0, dose 2.5 g/L, and temperature 20.0°C, with 90% as removal capacity. The adsorbent was selective with respect to secbumeton. The results followed Langmuir, Freundlich, and Temkin models. The values of thermodynamic parameter i.e. ΔG° were −5.89, −5.81, and −5.71 kJ/mol at 20, 25, and 30°C temperatures. The value of ΔH° was −11.08 kJ/mol, indicating exothermic nature of adsorption. ΔS° value was −1.78 × 10−2 kJ/mol K; an indication of entropy decrease during adsorption. Kinetic modeling showed pseudo-second-order and liquid film diffusion mechanisms. The developed adsorpti.
Photochemical Crosslinking and Enzymatic Degradation of Poly(3‐hydroxyalkanoate)s for Micropatterning in Photolithography

Biodegradable poly(3-hydroxyundecenoate) (PHU) films on silicon wafers were crosslinked with UV light under patterned masks. The films were crosslinked most efficiently when irradiated in the presence of diphenyl(2,4,6-trimethylbenzoylphosphane oxide) as the initiator. Crosslinked patterns were developed with depolymerase solution because crosslinked PHU was degraded much more slowly than natural PHU. Patterned images with thicknesses of as low as 2.5 μm were obtained showing the potential application of PHU in microlithography as a photosensitive material, which is friendly to the environment.