Miracle-dz/UniFAR-FTUs huggingface dataset:
Molecular Dimensions for Adsorptives

Pore volumes, accessible surface areas, and the thermodynamics of adsorption are essential in the understanding of solid surface characteristics fundamental to catalyst and adsorbent screening and selection. The recently developed Multiple Equilibrium Analysis (MEA) provides a thorough characterization of the adsorption process. Molecular properties such as molecular volumes and projected molecular areas are needed in order to convert moles adsorbed to surface volumes and probe dependent, accessible surface areas. These molecular quantities are also needed in conventional methods for determining areas and pore volumes. Generally, these molecular properties have been estimated from bulk properties, but many assumptions are required. As a result, different literature values are employed for these essential molecular properties. In this article, molecular structures for various conformers of many molecules are calculated using ZINDO. Molecular volumes and excluded molecular areas are determined from these st.
Proposition de SUJET DE STAGE M 2 R / Ingénieur-3 A

Lab-on-chip sensors are miniaturized circuits that integrate all key functionalities within a single chip, including target preparation, detection and data analysis [1]. Ideally, these devices should be compact, robust and low cost, allowing large-volume production. This would allow the widespread deployment of a wide range of high-impact applications such as invasive medical diagnostics, food quality control and air pollution monitoring. In addition, labon-chip sensors should comprise sophisticated and intelligence enough (data monitoring, processing and analysis) to be used by non-skilled personal.
Picosecond Dynamics of the Photoreduction of 4,4‘-Bipyridine by 1,4-Diazabicyclo[2.2.2]octane in Water

The photoreduction of 4,4‘-bipyridine (44BPY) by 1,4-diazabicyclo[2.2. 2]octane (DABCO) has been studied in water by picosecond transient absorption spectroscopy and time-resolved resonance Raman sp.
ANALYSIS OF ACTIVE INGREDIENTS, LUMEFANTRINE AND ARTEMETHER IN COMBINED ANTIMALARIAL TABLET BY HPTLC WITH DENSITOMETRIC MEASUREMENT BEFORE AND AFTER DERIVATIZATION

A new chromatographic and densitometric method has been established for quantitative analysis of lumefantrine and artemether present together in combined tablet to treat malaria. The method employed TLC aluminum plate precoated with silica gel 60 F254 as the stationary phase. The solvent system consisted of toluene:ethyl acetate:acetic acid (2:7.5:0.5, v/v/v) as the mobile phase. Densitometric analysis was carried out in the reflectance mode at 269 nm for lumefantrine and 519 nm for artemether. The method is specific for analyte constituents examined and characterized by high sensitivity. The LOD and LOQ of lumefantrine were 7.32 and 26.15 ng; for artemether, 2.43 and 6.12 ng per band, respectively. Recovery from 98.40% to 99.45% for lumefantrine and 100.09% to 101.61% for artemether and linear range from 60 to 360 ng for lumefantrine and 10 to 60 ng for artemether per band. The method was characterized by good precision with RSD from 0.11 to 1.41.
Characteristics of peptones from grouper (Epinephelus fuscoguttatus) and parrotfish (Scarus javanicus) head by-products as bacterial culture media

Department of Fishery Product Technology, Bioseafood Research Group, Faculty of Fisheries and Marine Science, University of Brawijaya, Malang 65145, Indonesia. Halal Thoyyib Science Center, University of Brawijaya, Malang 65145, Indonesia. Faculty of Food Science and Nutrition, University of Malaysia Sabah, Kota Kinabalu, Sabah, 88400, Malaysia. University of Sultan Ageng Tirtayasa, Serang 42124, Banten, Indonesia.
Kinetic Evaluation of the Pyrolysis of Polyethylene Waste

The main aim of this study was the identification of possible routes for reaction mechanism for the pyrolysis of polyethylene. In this paper, a kinetic study of the pyrolysis of polyethylene is presented. The pyrolysis reactions were carried out in a six autoclave system using different temperatures and reaction times. It was analyzed if the direct conversion of plastic wastes into gaseous, liquid, and solid products was favored or if parallel reactions and/or reversible elementary steps should be considered. A theoretical model has been ajusted to experimental data. The kinetic parameters of polyethylene pyrolysis were estimated.
Role of Redox-Sensitive Calcium/Calmodulin-Dependent Protein Kinase lla in Angiotensin II Intra-neuronal Signaling and Angiotensin ll-Mediated Hypertension

ROLE OF REDOX-SENSITIVE CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE IIα IN ANGIOTENSIN II INTRA-NEURONAL SIGNALING AND ANGIOTENSIN II-MEDIATED HYPERTENSION Urmi Basu, Ph.D. University of Nebraska Medical Center, 2015 Advisor: Matthew C. Zimmerman, Ph.D. Activation of renin-angiotensin system and elevated levels of circulating and brain angiotensin II (AngII) has been implicated in the pathogenesis of neurocardiovascular diseases, such as hypertension and heart failure. In central neurons AngII increases generation of reactive oxygen species (ROS), which in turn regulates neuronal ion channels. Previous studies have demonstrated that ion channels can also be regulated by protein kinases, such as calcium /calmodulin-dependent protein kinase II (CaMKII) as a downstream mediator of AngII signaling. In the heart, CaMKIIδ undergoes oxidation upon AngII stimulation and increased pro-oxidant conditions. However, the exact mechanism by which AngII and ROS regulate CaMKIIα, the major neuronal isoform, in central neurons is unclear. We hypothesized that overexpression of wild-type CaMKIIα in neurons exacerbates the AngII-mediated inhibition of neuronal ion channels and the AngII-induced hypertensive response. Indeed, in mouse catecholaminergic
Direct electrodeposition of highly ordered magnetic nickel nanowires on silicon wafer

Highly ordered nickel nanowire (50 and 12 nm in diameter) arrays were successfully deposited into the nanoporous alumina template film on a gold-coated silicon wafer. The electrodeposited nickel nanowires have a preferred (220) fibre texture, that is the [110] direction parallel to the wire axis. With electropolishing, nanoporous alumina template with ordered and uniform pores was prepared by anodisation. By complete removal of the barrier layer and careful control of electrodeposition procedures, nearly 100% pore filling of uniform nanowires can be directly deposited onto the Au-coated silicon substrate, therefore no pattern transfer is necessary and incorporation of these nanowires into silicon-based devices is readily possible
Influence of light irradiation modalities on light distribution in human whole blood

To compare the differences of the light distributions in blood with different light irradiation modalities, Monte Carlo simulation was applied. The light distribution of He-Ne laser (632.8nm) in human whole blood was simulated. The diameter of the optic fiber used was 400μm. We referred to the work done by other researchers to determine tissue optical parameters of blood. For the same output laser power of 5mW, our results showed that the highest power density could be more than 6000mW/cm2 using flat end optic fiber. But when using optical fiber coupled with cylindrical light diffuser (the length for light emission =3mm), the highest power density was less than 210mW/cm2. Increasing the length of light emission could further reduce the highest power density. In summary, the optical fiber coupled with cylindrical light diffuser is a good modality for in vivo light irradiation in whole blood, which can decrease the light intensity and make it more uniformed distributed in blood. It is of great importance to choose the suitable light emission length of optic fiber coupled with cylindrical light diffuser for clinical applications.
Monitoring of atrazine biodegradation by Pleurotus ostreatus INCQS 40310 through the simultaneous analysis of atrazine and its derivatives by HPLC

Abstract Atrazine is a widely used herbicide on crops of major economic relevance such as corn and sugarcane. The widespread use of this herbicide could result in its accumulation in, or contamination of environmental niches. It is important to emphasize that not only atrazine but also its derivatives should be monitored. The aim of this study was to develop an appropriate methodology for simultaneous separation of atrazine (ATZ) and its derivatives, desethylatrazine (DEA), deisopropylatrazine (DIA), hydroxyatrazine (HA), desethyldeisopropylatrazine (DEDIA), desethylhydroxyatrazine (DEHA), and deisopropylhydroxyatrazine (DIHA) using high-performance liquid chromatography (HPLC). HPLC analyses were performed under gradient elution mode using a Shim-pack VP ODS C18 (250 × 4.6 mm, 4.6 μm) column, 5 mmol.L− 1 of sodium phosphate buffer (pH 7.2) and acetonitrile as the mobile phase at a flow rate of 1 mL.min− 1 and 25°C. Detection was monitored at 221 nm. Some validation parameters, such as selectivity, linearity, precision, accuracy, limit of detection and limit of quantification were evaluated for analyses of atrazine, DEA, and DEDIA. The method was successfully applied to the detection of DEA and DIA, the main degradation products observed after 15 days of incubation in the presence of Pleurotus ostreatus INCQS 40310. The formation of DEA and DIA was unequivocally confirmed by GC-MS.
Linear Coupling of Gradient and Mirror Descent: Version for Composite Functions with Adaptive Estimation of the Lipschitz Constant

Recently Allen-Zhu and Orecchia [2014] have proposed a new way of deriving Nesterov’s fast gradient method (FGM). They showed that FGM can be viewed as a special convex combination of the primal gradient method and mirror descent. In this work we extend the method of Allen-Zhu and Orecchia [2014] in two directions: 1) we generalize the method to the class of composite convex functions; 2) we modify the method so that it does not require the knowledge of the Lipschitz constant and is able to choose it adaptively in iterations. We prove that the proposed method retains the same convergence rate as the original method of Allen-Zhu and Orecchia [2014]
Preuves expérimentales de l'existence du neutron

HAL is a multi-disciplinary open access archive for the deposit and dissemination of scientific research documents, whether they are published or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L’archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des établissements d’enseignement et de recherche français ou étrangers, des laboratoires publics ou privés. Preuves expérimentales de l’existence du neutron Irène Curie, F. Joliot
FuzzIL: Coverage Guided Fuzzing for JavaScript Engines pdfsubject=Not set

Web Browsers have become a ubiquitous application on desktop operating systems as well as on mobile platforms, making them critical to users’ security on the web. In particular JavaScript interpreters, which allow for an interactive experience on the web, have come into focus for attackers as they commonly provide powerful exploitation primitives that enable the compromise of the hosting process with a single vulnerability. As such there is an interest to detect these vulnerabilities in an automatic fashion. Besides static analysis, fuzzing is commonly used to automatically detect software vulnerabilities. Here, randomly generated input is repeatedly provided to the application as input in the hopes of triggering a faulty condition. Recently, guided fuzzing approaches have shown promising results and often outperform classic mutation-based or generative approaches. Guided fuzzing uses feedback, often in the form of coverage information, collected during execution to score the produced samples. New samples will then be produced by mutating previous samples that were deemed interesting. This enables the fuzzer to eventually generate complex inputs that reach deep into the targets processing logic. The goal of this work is then to apply the guided fuzzing approach to script interpreters. This requires defining semantically useful mutations on program code. However, in contrast to existing approaches that mutate syntactical elements such as the textual representation of code or a syntax tree, mutations are defined on a newly designed intermediate language (IL) on which, due to its restricted form, mutations of control and data flow can easily be performed. This reflects the fact that the syntactical properties of a program are generally irrelevant. Further, the proposed system is able to generate semantically valid samples with a high probability. This is important as it avoids the need to wrap generated code into try-catch constructs which can negatively affect the runtime behavior. An initial implementation of the proposed system was able to identify exploitable, previously unknown security vulnerabilities inside the JavaScript engines of the Safari and Firefox web browsers as well as numerous crashes and internal assertion failures across different engines.
Adsorption of Low-level CO2using Activated Carbon Pellet with Glycine Metal Salt Impregnation

Abstract The present study has evaluated the CO 2 adsorption amount of activated carbon pellets (AC). Coconut shellbased test AC were modi Þ ed with surface impregnation of glycine, glycine metal salts and monoethanolamine forlow level CO 2 (3000ppm) adsorption. Physical and chemical properties of prepared adsorbents were analyzed andthe adsorbed amount of CO 2 was investigated by using pure and 3,000ppm CO 2 levels. The impregnation of nitro-gen functionalities was veri Þ ed by XPS analysis. The adsorption capacity for pure CO 2 gas was found to reach upto3.08mmol/g by AC -LiG(Activated carbon -Lithium glycinate), which has the largest speci Þ c surface area(1026.9m 2 /g). As for low level CO 2 s ow the primary amine impregnated adsorbent showed 0.26 mmol/g of adsorptionamount, indicating the highest selectivity. An adsorbent with potassium -glycine salts(AC -KG, Activated carbon -Potassium glycinate) instead of amine presented with 0.12mmol/g of adsorption capacity, which was higher thanthat of raw activated carbon granules(0.016mmol/g). Key words : CO
Multiscale statistical process control with multiresolution data

An approach is presented for conducting multiscale statistical process control that adequately integrates data at different resolutions (multiresolution data), called MR-MSSPC. Its general structure is based on Bakshi's MSSPC framework designed to handle data at a single resolution. Significant modifications were introduced in order to process multiresolution information. The main MR-MSSPC features are presented and illustrated through three examples. Issues related to real world implementations and with the interpretation of the multiscale covariance structure are addressed in a fourth example, where a CSTR system under feedback control is simulated. Our approach proved to be able to provide a clearer definition of the regions where significant events occur and a more sensitive response when the process is brought back to normal operation, when it is compared with previous approaches based on single resolution data. © 2006 American Institute of Chemical Engineers AIChE J, 2006
Electron penetration and energy transfer in solid targets

A new film-bulk method is used for the measurement of the depth distribution of current density and absorption of incident primary electrons penetrating into solid targets of Be, Al, Cu, and Au, As well the depth dependence of the generation of secondary electrons in the interior of the targets is determined experimentally. The energy transfer curves resulting from the inelastic multiple scattering of the primary electrons show a maximum at the depth x0(E0). This makes possible the quantitative volume spectroscopy by a beam of primary electrons of variable energy E0. Mit der neuartigen Film-Bulk-Methode werden Tiefenverteilungen der Stromdichte und der Absorption von eingeschossenen Primarelektronen in massiven Be-, Al-, Cu- und Au-Targets gemessen. Ebenfalls wird die Tiefenabhangigkeit der Sekundarelektronenerzeugung im Targetinneren experimentell bestimmt. Die Energietransferkurven, resultierend aus der inelastischen Vielfachstreuung der Primarelektronen, besitzen in der Tiefe x0(E0) ein Maximum und ermoglichen so eine quantitative Volumenspektroskopie mit Elektronenstrahlen variabler Energie E0.
Biosorption of Chromium(III) and Copper(II) Ions onto Marine Alga Sargassum sp. in a Fixed-bed Column

The simultaneous biosorption of chromium(III) and copper(II) ions onto Sargassum sp. alga in a fixed-bed column reactor was investigated. Experiments were undertaken to determine the effect of the feed concentration (1, 2, 3 and 6 mequiv/ℓ) and the composition of the metal ion solution [0.25, 0.50 and 0.75 Cu(II)/Cr(III) ratio] on the behaviour of the breakthrough curves. A mathematical model was applied to describe the biosorption in a fixed-bed column. Equilibrium was described in this model in terms of a binary Langmuir-type adsorption process, together with mass transfer in the biosorbent based on the Linear Driving Force (LDF) model. The partial differential equations for the system were solved numerically by the finite volume method. The proposed mathematical model for the biosorption process provided a satisfactory description of the dynamics of metal ion removal in the column relative to the experimental data obtained. The adsorptive capacity of the biomass for Cr(III) ions in the binary system was greater than that for Cu(II) ions. The developed model could provide a useful tool for the optimization of Cr(III) and Cu(II) ion removal processes by Sargassum sp. biomass and the design of the corresponding fixed-bed columns.
Isomorphous replacement and phase determination in non‐centrosymmetric space groups

below, for the a tom 09 is a t y = 1⁄4 , and it would therefore lie over a t rough if the second layer were undisplaced with respect to the first. In these circumstances the h06 reflexions would indicate a spacing of 7.3 A instead of twice this. I f 01 lies over the troughs, however, a l te rnate layers must suffer a relative disp lacement of b/12 so t ha t a c~ type of latt ice will be produced, in accordance with the observations. The fur ther al ternat ive, t ha t the 01 and 02 a toms might both lie a t the same level and at positions midway between the crests and t roughs of the layer below, can also be ruled out. This would introduce the possibility of equivalent relat ive shifts of +b/24 in each layer, and would therefore lead to extinction of the h/c0 reflexions except for k = 12n. Since the chrysotile layers m a y be expected to have a plane of s y m m e t r y perpendicular to the b axis, there is no possibility of a fur ther polymorph related to para-chrysoti le in the same way as clino-chrysotile is related to ortho-chrysotile.
Exploring the metallic phase of N2O under high pressure

Simple molecular solids are expected to undergo structural phase transitions to form frameworks or polymeric solids under high pressure. The high-pressure structures of N2O have long attracted considerable attention. We combine the CALYPSO searching method with density functional theory to investigate the phase stabilities and structural changes of N2O at high pressure. We find two metallic structures of N2O which may be observed in high-pressure experiments. The current calculations reveal that the C2/m is the most stable structure over a pressure range of 177–194 GPa, and the other C2/c is metastable and only 10 meV per atom higher in energy than the C2/m structure at 180 GPa. At higher pressure, the metallic C2/m phase transforms into an insulating phase with space group of P21/m.
Carbonaceous Aerosol Measurements at Coastal, Urban, and Inland Sites in Central Taiwan

The concentrations of elemental carbon (EC) and organic carbon (OC) of particulate matter (PM)2.5 were investigated at coastal, urban, and inland sites in central Taiwan during October 1999 and March 2000, and the carbon contents were analyzed using a total organic carbon analyzer (TOC). The results showed that the average EC concentrations at the various sites were from 2.7–4.4 μ g/m3, while the mean OC concentrations were from 6.9–12.3 μ g/m3. Both higher EC and OC levels were found in inland areas. Good correlations of OC and EC were found in coastal and urban areas, indicating that OC was mainly from the primary combustion emissions, whereas OC was weakly correlated with EC at the inland sites, suggesting that the contributions of OC were unrelated combustion sources (i.e., secondary organic carbon). The optimal Deming regression was used to estimate the ratio of OC/EC, leading to calculate the amount of secondary organic aerosols in this study. On average, secondary organic carbon constituted 13%–48% of the total organic carbon for PM2.5 with high levels observed in inland areas. Moreover, higher secondary OC concentration was observed at low wind speed, high relative humidity and high oxidants sum (O3 + NO2) levels atmosphere.
Iron Bioavailability and Redox Activity in Diverse Carbon Nanotube Samples

The ultimate success of many nanotechnologies will depend on our ability to understand and manage nanomaterial health risks. Carbon nanotubes are now primarily fabricated by catalytic routes and typically contain significant quantities of transition metal catalyst residues. Iron-catalyzed free-radical generation has been hypothesized to contribute to oxidative stress and toxicity upon exposure to ambient particulate, amphibole asbestos fibers, and single-wall carbon nanotubes. A key issue surrounding nanotube iron is bioavailability, which has not been systematically characterized, but is widely thought to be low on the basis of electron microscope observations of metal encapsulation by carbon shells. Here, we validate and apply simple acellular assays to show that toxicologically significant amounts of iron can be mobilized from a diverse set of commercial nanotube samples in the presence of ascorbate and the chelating agent ferrozine. This mobilized iron is redox active and induces single-strand breaks .
Remediation of Soils Polluted by Heavy Metals using Salts of Organic Acids and Chelating Agents

Various weak organic acids and/or their salts were tested for the remediation of a loam and a sandy clay loam naturally polluted by heavy metals for over three years against two strong synthetic chelating agents (EDTA and DTPA). Among 7 weak organic acids and/or their salts, citrate, tartarate and oxalate were found to effectively remove Cd, Cu, Pb and Zn from the two soils in double extractions, at a wide range of pH. Citrate removed 80 to 99.9% of all four metals within 24 h at pH from 2.3 to 7.5. Tartarate removed 84 to 99.9% of all metals from both soils within 24 h at pH from 2.1 to 6.7. Oxalate alone is not effective in removing metals particularly Pb but with ammonium citrate (1:1 ratio) removed effectively 82, 70, 99.9, and 99.9% for Cd, Pb, Cu and Zn, respectively at pH from 2.6 to 5.8. Zinc met the Quebec A level soil clean-up criteria after two extractions whereas Cu and Pb reached the B level. Probably, two more extractions with these weak organic acids and/or their salts are required to meet .