Miracle-dz/UniFAR-FTUs huggingface dataset:
Atomic force microscopy of organic nonlinear optical molecules at the gas-liquid and gas-solid interface

The structure and intermolecular forces of the surface of organic materials showing high nonlinear optical susceptibilitieswere investigated. The first part of the dissertation is devoted to Langmuir and Langmuir Blodgett (LB) films, which are defined as monolayers floating at the air-liquid interface and multilayers deposited on a solid Substrate, respectively.They were studied during the whole formation process. Organic components with high hyperpolarizabilities (chromophores), determined by Electric-Field Induced Second Harmonie generation experiments (EFISH) and calculated theoretically by a semi-quantum mechanical method, were attached to hydrocarbon chains to formLB molecules. The obtained floating films and the layers transferred onto a solid Substrate were investigatedby force methodsand optical microscopy.The LB structure was simulated and predicted theoretically by force field techniques.The unit cell of 2-docosylamino-5-nitropyridine (DCANP) and 2-(21'-docosenyl)-amino-5-nitropyridine (VECANP) was determined experimentally by high resolutionmicroscopy.The film formations, particularly the macroand micromolecular structures of the different material phases, are theoretically and experimentally explained. The order of the 2-dimensional solid-liquid phase transitions was determined for each LB-film. We observed deterioration of the transferred monolayers on solid. The air humidity modified the crystalline structures of the LB films and provoked hol.es. A special atomic force microscope to image the Langmuir films floating at the air-water interface in high resolution was construeted for the first time. The results presented here show that the tip of the underwater atomic force microscope stays in feedback for each Langmuir film type, but only very stable films, with a second order liquid-solid phase transition, could be imaged. Molecular resolution of arachidic acid and nitropyridinefilms floating at the air-liquid interface are also presented in this work. Stable Langmuir and Langmuir Blodgett film of molecules with very high hyperpolarizabilitycoefficients (N-nitrostilbene derivatives) were fabricated for the first time and are presented in this dissertation. The macroscopic domain structure and its formation were studied by optical microscopic techniques (absorption enhanced contrast and second harmonic generation) as well as by scanning force techniques (2-dimensional surface pressure / area diagram measurement, atomic force microscopy (AFM)). The films show a first order solid-liquid phase transition. The solid phase is crystalline and noncentrosymmetric.The crystalline domains were very stable and could be transferred onto a solid Substrate without modifying their macroscopic and microscopic structures. The transferred and floating monolayers show a large second harmonic intensity, about ten times larger than that of DCANP. The second harmonic could be observed by unassisted visual inspection alone. The monolayers could not, however, be superposed.
Micro et nanoanalyses des microfossiles du Protérozoïque et de tapis microbiens fossiles

L’etude de la matiere organique des microfossiles et tapis microbiens preserves dans les roches precambriennes est cruciale pour comprendre l’evolution de la vie precambrienne. Des techniques de spectroscopie ont ete utilisees pour contraindre la nature biologique de ces microstructures organiques. Mais elles n’offrent pas la possibilite d’acceder aux informations moleculaires complexes. La spectroscopie de masse a temps de vol (ToF SIMS), permet d’acceder a ce type d’information, mais elle n’a encore jamais ete appliquee avec succes sur des (micro)fossiles precambriens. Un premier aspect de ce travail a ete la mise au point d’une preparation de tranches epaisses de roches sans resine et contamination organique. Elle permet d’effectuer des observations optiques de microstructures organiques, des nettoyages avec solvants organiques, et surtout des analyses ToF SIMS. Les structures moleculaires preserves dans des tapis microbiens fossiles d’âge kimmeridgien (Orbagnoux, France) et archeen (Strelley Pool formation, Australie) ont ete caracterisees a l’echelle micrometrique. L’examen des donnees ToF SIMS a permis de mettre en evidence la presence des heterogeneites et de renseigner les caracteres aliphatiques et aromatiques des matieres organiques. Un second aspect de ce travail etait la caracterisation a micro- et nanoechelle de deux assemblages de microfossiles du Precambrien. L’etude de l’assemblage de microfossiles de la formation de Draken (700-800 millions d’annees) a permis de documenter des structures organiques encore jamais rapportees et provenant de cyanobacteries filamenteuses, coccoides, et d’eucaryotes. L’etude des roches de Turee Creek group (2,3 milliards d’annees) a permis de caracteriser des microfossiles qui porte une signature d’oxydation microbienne du fer.
Flow and Temperature Distribution in a Naturally Stratified Thermal Storage Tank

Abstract : Thermal energy storage for building and process cooling is employed in two principal forms: sensible and latent. Each form has its advantages and disadvantages. Currently, water is the most frequently used storage medium for cooling, with the solid/liquid phase change being used for latent storage and chilled liquid water used for sensible storage. This report deals exclusively with sensible storage in water. Researchers studied the effects of mixing on the creation and maintenance of a thermocline during the charging of a thermal storage tank for cooling and the effects of momentum of inlet fluid and buoyancy due to temperature differences on the creation and maintenance of thermoclines. From the design point of view, the inlet parameters and their ranges for optimal performance of a stratified thermal storage tank have been more clearly delineated. The upper limit of the range of the Reynolds number for optimal stratified chilled water storage tank performance appears to be between 400 and 600. The upper limit of the densimetric Froude number range was determined in a previous study, and is about 2. Sensible storage, Thermal storage tank.
The deposition of diamond films by filament techniques

Several important aspects of the vapor deposition of diamond thin films by hot filament associated chemical vapor deposition (CVD) are described. This deposition technique is economical and scalable to large areas. However, practical difficulties such as deformation of the filament and its relatively short lifetime often obscure these advantages. Techniques to overcome these difficulties have been developed. Straight rhenium wires, mounted under tension are used for the activation of the precursor gas mixture. The effects of wire diameter, temperature, length, and spacing on the thickness distribution and deposition rate of the diamond films have been determined. For high quality and large area diamond films, deposition rates are generally very low and it is often necessary to overcome a nucleation barrier. The use of submicron diamond powder to provide the necessary nucleation sites is discussed.
CSCI699 Introduction to Information Extraction: Project survey

000 001 002 003 004 005 006 007 008 009 010 011 012 013 014 015 016 017 018 019 020 021 022 023 024 025 026 027 028 029 030 031 032 033 034 035 036 037 038 039 040 041 042 043 044 045 046 047 048 049 050 051 052 053 054 055 056 057 058 059 060 061 062 063 064 065 066 067 068 069 070 071 072 073 074 075 076 077 078 079 080 081 082 083 084 085 086 087 088 089 090 091 092 093 094 095 096 097 098 099 ACL 2018 Submission ***. Confidential Review Copy. DO NOT DISTRIBUTE.
Fluorinated contrast agents for magnetic resonance imaging; a review of recent developments

The development of medical imaging probes for magnetic resonance imaging (MRI) is a particularly dynamic area of research. At present, many prominent groups are dedicating significant resources to tailoring and optimising the performance of potential contrast agents. Whilst 1H MRI has become an indispensable tool for the imaging of disease states, it frequently suffers from low contrast owing to background signal from intrinsic 1H. As a result, increasing attention is being directed at compounds containing 19F as this nucleus has a similar NMR sensitivity to 1H and, importantly, intrinsic 19F signals are virtually undetectable in vivo. For several decades, perfluorinated molecules (in which all of the C–H bonds in the parent molecule have been replaced with C–F bonds) and highly fluorous gases such as SF6 have traditionally been used for these kinds of investigations and there have been some excellent reviews of these compounds and their applications. However, recently 19F imaging is showing signs of evolution, particularly as there have been several reports of fluorinated responsive (smart) agents, micelles, dendrimers and hyperbranched polymers being investigated as targets for 19F-MRI. Furthermore, examples of multimodal contrast agents containing 19F nuclei are also starting to emerge. In this review we aim to summarise these exciting recent chemical developments.
HUmus Chemistry Genesis, Composition, Reactions

Partial table of contents: Organic Matter in Soils: Pools, Distribution, Transformations, and Function. Extraction, Fractionation, and General Chemical Composition of Soil Organic Matter. Organic Forms of Soil Nitrogen. Native Fixed Ammonium and Chemical Reactions of Organic Matter with Ammonia and Nitrite. Organic Phosphorus and Sulfur Compounds. Soil Carbohydrates. Soil Lipids. Biochemistry of the Formation of Humic Substances. Reactive Functional Groups. Structural Components of Humic and Fulvic Acids as Revealed by Degradation Methods. Characterization of Soil Organic Matter by NMR Spectroscopy and Analytical Pyrolysis. Structural Basis of Humic Substances. Spectroscopic Approaches. Colloidal Properties of Humic Substances. Electrochemical and Ion-Exchange Properties of Humic Substances. Organic Matter Reactions Involving Pesticides in Soil. Index.
Lexical irregularity and the typology of contrast

This paper(1) addresses the proper balance between the lexicon and grammar. Particularly, it takes a fresh look into lexical phonological irregularity and its implications for the lexicon-grammar interface, integrating insights from three domains: the use of prespecification in blocking alternations (Kiparsky 1993, Inkelas 1995, Inkelas, Orgun & Zoll 1997), phonologically driven allomorphy (Mester 1994, Burzio 1996, Kager 1996, Steriade 1997), and Richness of the Base (Prince & Smolensky 1993, Smolensky 1996, Prince 1998). I propose that irregular alternations involve listed allomorphs, whose surface distribution is conditioned by markedness constraints. My allomorphic model strongly reduces the use of morpheme-specific features for lexical irregularity, thus constraining the factorial typology of contrast.
Modification of hydrogen-passivated silicon by a scanning tunneling microscope operating in air

The chemical modification of hydrogen‐passivated n‐Si (111) surfaces by a scanning tunneling microscope (STM) operating in air is reported. The modified surface regions have been characterized by STM spectroscopy, scanning electron microscopy (SEM), time‐of‐flight secondary‐ion mass spectrometry (TOF SIMS), and chemical etch/Nomarski microscopy. Comparison of STM images with SEM, TOF SIMS, and optical information indicates that the STM contrast mechanism of these features arises entirely from electronic structure effects rather than from topographical differences between the modified and unmodified substrate. No surface modification was observed in a nitrogen ambient. Direct writing of features with 100 nm resolution was demonstrated. The permanence of these features was verified by SEM imaging after three months storage in air. The results suggest that field‐enhanced oxidation/diffusion occurs at the tip‐substrate interface in the presence of oxygen.
On integrating the techniques of direct methods and isomorphous replacement. I. The theoretical basis

Recent advances in direct methods are applied to structurally isomorphous pairs; in particular the probabilistic theory of the three-phase structure invariant in P1 is worked out. The neighborhood principle plays the central role. Specifically, the six-magnitude first neighborhood of each of the four kinds of three-phase structure invariant is defined and the joint probability distribution of the corresponding six structure factors is derived. This distribution leads to the conditional probability distribution of each kind of three-phase structure invariant, assuming as known the six magnitudes in its first neighborhood. In the favorable case that the variance of the distribution happens to be small, one obtains a reliable estimate (0 or π of the structure invariant [the neighborhood principle: Hauptman (1975). Acta Cryst. A31, 680-687].
Computational Chemistry in Lead Identification, Library Design and Lead Optimisation

Abstract We describe a variety of the computational techniques which we use in the drug discovery and design process. Some of these computational methods are designed to support the new experimental technologies of high-throughput screening and combinatorial chemistry. We also consider some new approaches to problems of long-standing interest such as protein-ligand docking and the prediction of free energies of binding.
Polyisoprene, poly(styrene-cobutadiene), and their blends. I. Vulcanization reactions with tetramethylthiuram disulfide/sulfur

Polyisoprene (IR), poly(styrene-cobutadiene) (SBR) and IR–SBR blends were vulcanized with tetramethylthiuram disulfide/sulfur in a differential scanning calorimeter (DSC) at a programmed heating rate and isothermally in a press at 130oC. The reaction was stopped at various stages, and the crosslink densities were measured. Residual curatives and extractable reaction intermediates were analyzed by high-pressure liquid chromatography (HPLC). IR crosslinked more rapidly than SBR, and the difference was attributed to the greater reactivity of the accelerator polysulfides in intitiating reaction with IR than with SBR. In blends, the greater reactivity of IR led to the earlier crosslinking of IR, the depletion of curatives in the IR phase, and the diffusion of curatives from SBR to IR. Consequently, a zone of highly crosslinked material developed in IR close to the interface. The freezing point of a solvent, imbibed into a gel, is decreased as crosslinking proceeds, and dissimilarities in the crosslink densities of the phases in blends were demonstrated by comparing the crosslink density, calculated from swelling experiments, with the depression of the freezing point of the imbibed solvent. © 1999 John Wiley & Sons, Inc. J Appl Polym Sci 74: 1250–1263, 1999
Utilisation de séquences vidéo avec critères de qualité pour la reconnaissance faciale

Cet article presente un systeme de reconnaissance faciale automatique qui a ete developpe et evalue dans le cadre de la competition MBGCv1 - Portal Challenge. Le scenario d'evaluation consiste a comparer une image de reference a une sequence video ou la personne marche a travers un portail metallique. Le systeme exploite les caracteristiques de Gabor pour la reconnaissance faciale. Quatre mesures liees a la qualite du visage sont utilisees pour ecarter les trames non pertinentes de la sequence video.
Multimodal Biosignal Analysis Algorithm for the Classification of Cardiac Rhythms During Resuscitation

Monitoring the heart rhythm during out-of-hospital cardiac arrest (OHCA) is important to improve treatment quality. OHCA rhythms fall into five categories: asystole (AS), pulseless electrical activity (PEA), pulse-generating rhythms (PR), ventricular fibrillation (VF) and ventricular tachycardia (VT). This paper introduces an algorithm to classify these OHCA rhythms using the ECG and the thorax impedance (TI) signals recorded by the defibrillation pads. The dataset consisted of 100 OHCA patient files from which 2833 4-s signal segments were extracted: 423 AS, 912 PE, 689 PR, 643 VF, and 166 VT The Stationary Wavelet Transform (SWT) was used to obtain 95 features from the ECG and the TI. Random Forest classifiers were used, features were ranked during training using random forest importance, and models with increasing number of features were evaluated. The optimal classifier was obtained combining 50 ECG and TI features, with a median (80% confidence interval) average recall of 86.5% (80.6-89.4). The recall for AS/PEA/PR/VF/VT were 96.3% (93.0-98.5), 77.8% (68.1-89.2), 88.7% (79.5-93.6), 94.4% (90.2-97.4) and 77.3% (52.9-91.3), respectively.
Regulation and expression of fatty acid elongase-5 (ELOVL5) gene in the fatty liver tissue of goose subjected to overfeeding. Online J. Anim. Feed Res., 9(3): 110-115. www.ojafr.i

Fatty acid elongase ELOVL plays an important role in the synthesis of long-chain polyunsaturated fatty acids (LCPUFA). The aim of this study was to investigate regulation and expression of ELOVL fatty acid elongase 5 gene in the fatty liver tissue of goose after feeding on a carbohydrate-rich diet. To understand how the Elovl5 was down-regulated in the context of fatty liver, we treated goose primary hepatocytes with fatty liver-related factors, including high levels of glucose, fatty acids and insulin. Together, the present study suggested that the reduction of Elovl5 expression is required for the development of goose fatty liver. We hypothesized that ELOVL5 are involved in goose fatty liver development. To address this, we determined the response of goose ELOVL5 gene to overfeeding and their expression in goose liver and primary hepatocytes with some related factors such as glucose, fatty acid and insulin. Expression data indicated that ELOVL5 was significantly reduced after a period of force-feeding lasting 2 weeks of overfeeding. In primary hepatocytes, gene expression was not affected by glucose and palmitate treatment while expression reduced by high level of insulin 50mM and 100mM. Also when we treated with 0.25Mm of Oleate the expression level rapidly downregulated.
DEVELOPMENT OF FLOW INJECTION-HYDRIDE GENERATION-PHASE SEPARATION INTERFACES FOR THE DETERMINATION OF ARSENIC IN NATURAL WATERS AND RICE USING ATOMIC ABSORPTION SPECTROMETRY.

High levels of arsenic (As) in drinking water supplies and some foods have been reported to cause health problems in some parts of the world. This has resulted in review of the regulatory maximum permissible levels by WHO and other national bodies to be reviewed downwards. There is therefore a need to develop new methods for analysis of arsenic in water and foods that will be accurate and reproducible for routine analysis of large number of samples. Flow injection analysis (FIA) coupled with Atomic Absorption Spectrometry (AAS) was investigated for determination of arsenic in water and rice samples after hydride generation. The optimized basic FIA manifold gave a detection limit (LOD) of 0.74 μgL-1 (<1.0ppb) above the 3σ of the blank. Further increased mass flux of the gaseous hydride reaching the atomizer was improved by use of a modified gas-liquid phase separator and better detection limit was achieved. Retention capacity of various cartridges for As was investigated and a flow injection manifold for pre-concentration of As was employed with on-line solid-phase extraction cartridges. Alumina N (plus) and alumina B(plus) cartridges showed retention of arsenic with Alumina B showing slightly higher retention capacity for As than Alumina-N (Al-B = 74% and Al-N = 72%). Breakthrough volumes for Al -B was 160mls for 10ppb As solution at a flow rate of 6.7ml min-1. The new method was applied for the analysis of water and rice samples. Water samples analyzed showed no significant arsenic contamination or less than 10μgL-1, below the WHO guidelines value.Bottled water samples showed no As contamination and locally produced Kenyan rice showed no detectable arsenic as it was below the instrumental detectable limits. However, rice from Asian countries was found to contain As, Vietnam rice had 3.7 μg Kg-1, Pakistan rice 7.9 μg Kg-13and Singapore rice 5.6 μg Kg-1. The concentration of As obtained in rice were lower than the maximum contaminant levels (10μg Kg-1) set by WHO and other world bodies. Close monitoring of imported rice is therefore crucial. It is recommended that preconcentration of As be done in situ using alumina cartridges as it was found to have the highest retention capability of As and this method will be suitable for routine environmental monitoring.
EFFECT OF DIFFERENT FERTILIZATION MODES ON PHYSIOLOGICAL CHARACTERISTICS, YIELD AND QUALITY OF CHINESE CABBAGE

In field conditions, seven fertilization treatments were applied by randomized design with three replications. At a late growth stage of Chinese cabbage, the plant leaf chlorophyll content, photosynthetic rate (Pn), transpiration rate (Tr), and stomatal conductance (Gs) significantly increased upon the three fertilization modes, which were synthetic and organic fertilizers combined (SOF), synthetic fertilizer and dicyandiamide combined (SFD), and organic fertilizer inoculated live earthworms (OFE) than the other treatments. Organic fertilizer application significantly improved superoxide dismutase (SOD), Peroxidase (POD) and Catalase (CAT) activities and decreased malondialdehyde (MDA) accumulation, especially in the organic fertilizer inoculated live earthworms treatment. The SOF, SFD and OFE treatments improved the plant yield by 40.5%, 38.0% and 36.1% than the synthetic fertilizer applied alone treatment (SFB) and by 23.4%, 21.1% and 19.6% than the synthetic fertilizer in a split application treatment (SFT). Compared to single applied synthetic fertilizer, the OFE treatment significantly reduced nitrate content, and also improved sugar-acid ratio and soluble sugar and Vc content in the heads of the plant at the harvest stage. All this suggests the OFE treatment is a healthy, sustainable and environmentally friendly fertilization way for the Chinese cabbage production in north of China.
Multi-label Classification of Abnormalities in 12-Lead ECG Using Deep Learning

Identifying arrhythmias from electrocardiogram(ECG) signals remains an intractable challenge. This study aims to develop an effective and non-invasive approach to realize the recognition of arrhythmias based on 12-lead ECG for the PhysioNet/Computing in Cardiology Challenge2020. To this end, we propose a deep learning-based diagnosis approach, called EASTNet which captures the characteristics of cardiac abnormalities and correlation between heartbeats sampled randomly from 12-lead ECG records by a 34-layer 1D-deep squeeze-and-excitation network. Experimenting in the multi-label arrhythmia classification task, our team, EASTBLUE, was unable to rank and score in the hidden validation and test sets, but achieved diagnostic performance with 0.7030 ± 0.0090 metric score using 5-fold cross-validation on the training set. We also investigate the effect of beat sampling on diagnostic performance, and find that the beat sampling plays a role in data augmentation that effectively alleviates network overfitting. These results demonstrate that our approach has good potential application prospects in clinical practice, especially in the auxiliary diagnosis of abnormalities.