gebhart/patrepeval huggingface dataset:
Three Dimensional Pharmacophore Modelling of Monoamine oxidase-A (MAO-A) inhibitors (2007)

Flavoprotein monoamine oxidase is located on the outer membrane ofmitochondria. It catalyzes oxidative deamination of monoamine neurotransmitters such asserotonin, norepinephrine and dopamine and hence is a target enzyme for antidepressantdrugs. MAO (mono amine oxidase) has two isoforms, namely MAO-A and MAO-B.MAO-A isoform has higher affinity for serotonin and norepinephrine, while; MAO-Bpreferentially deaminates phenylethylamine and benzylamine. These important propertiesdetermine the clinical importance of MAO inhibitors. Selective MAO-A inhibitors are usedin the treatment of neurological disorders such as depression. In this article we havedeveloped a Hypogen pharmacophore for a set of 64 coumarin analogs and tried to analyzethe intermolecular H-bonds with receptor structure.
Modeling the Intensity Function of Point Process Via Recurrent Neural Networks (2017)

Event sequence, asynchronously generated with random timestamp, is ubiquitous among applications. The precise and arbitrary timestamp can carry important clues about the underlying dynamics, and has lent the event data fundamentally different from the time-series whereby series is indexed with fixed and equal time interval. One expressive mathematical tool for modeling event is point process. The intensity functions of many point processes involve two components: the background and the effect by the history. Due to its inherent spontaneousness, the background can be treated as a time series while the other need to handle the history events. In this paper, we model the background by a Recurrent Neural Network (RNN) with its units aligned with time series indexes while the history effect is modeled by another RNN whose units are aligned with asynchronous events to capture the long-range dynamics. The whole model with event type and timestamp prediction output layers can be trained end-to-end. Our approach takes an RNN perspective to point process, and models its background and history effect. For utility, our method allows a black-box treatment for modeling the intensity which is often a pre-defined parametric form in point processes. Meanwhile end-to-end training opens the venue for reusing existing rich techniques in deep network for point process modeling. We apply our model to the predictive maintenance problem using a log dataset by more than 1000 ATMs from a global bank headquartered in North America.
Solution-processable conjugated polymers containing alternating 1-alkyl-1,2,4-triazole and NSN links (2010)

Poly(sulfur nitride), [SN]x, is an infinite π-bonded system and only known polymeric superconductor composed of nonmetallic elements. The appealing electronic properties of [SN]x, along with the safety issue involved in the synthesis, have motivated research on [SN]x analogues, for example, conjugated polymers consisting of sulfur–nitrogen moieties separated by heterocyclic groups. In this paper, we report an exploration for a new NSN-linked polymer, with a major objective to improve its solubility for low-cost, large-area fabrication of molecular devices based on a solution process. Specifically, we present the synthesis and characterization of a conjugated polymer based on alternating 1-alkyl-1,2,4-triazole and sulfur–nitrogen. We found that 4-dimethylamino pyridine is an effective catalyst for the polymerization of bis-N-sulfinyl-3,5-diamino-1-dodecyl-1,2,4-triazole, resulting in polymers that show a broad absorption band in the range of 400 to 600 nm. Moreover, this polymer exhibits high solubility in a variety of non-polar solvents, including tetrahydrofuran, chloroform, dichloromethane, and chlorobenzene.
ChemInform Abstract: The Role of Magnesium Segregation in the Intergranular Stress Corrosion Cracking of Aluminium Alloys. (1987)

Abstract Theoretical and experimental results give evidence of both equilibrium and non‐equilibrium segregation of Mg, which depends on the solution heat treatment temperature.
Detection of variable-depth nonmetallic mines using fuzzy logic (2003)

This paper examines a technique for detection of antipersonnel mines with varied unknown depths. The method attempted in this study is based on a subtractive fuzzy logic algorithm. A comparison of the false alarm rate, the detection rate as well as the error rate is used to test the performance of the detection scheme in cases where the mine depth is both known and unknown. The effect of the a priori knowledge of the data on the execution of the detection scheme is observed, as well as the effect of the SNR level used to train the fuzzy logic detector. The algorithm is tested using real GPR data representing anti-personnel nonmetallic mine and other objects such as stone, brick, or a metallic sphere.
Exploration de la réflectrométrie à faible cohérence pour l'analyse des composants et circuits photoniques (2001)

La complexite accrue des technologies d'integration ont fortement motive le developpement d'un outil d'analyse permettant de sonder les proprietes, internes de composants individuels inseres dans un circuit complet. Dans un tel contexte, la reflectometrie a faible coherence (OLCR) est une technique prometteuse puisque fournissant de tres fines informations utiles aux concepteurs de circuits optiques. Cette these expose les analyses OLCR. Entreprises sur de nombreux elements cles des circuits WDM encore au stade de developpement. 1. 'association judicieuse de reflectogrammes enregistres (avec et sans courant) et de simulations (propagation guidee, matrices de transfert) ont conduit a la proposition d'un ensemble de methodologies d'analyses originales. Leurs implementations agrementees d'accessoires specifiques incorpores au banc de mesure (transmission. Reflexion, controleur de polarisation, electrolummescence. . . ) ont fourni de nombreuses donnees, revelant alors le fort potentiel et la richesse de l'analyse par OLCR des circuits optiques. Ces donnees peuvent etre de natures variees. Par exemple, une etude exhaustive des reflexions localisees a conduit a une analyse innovante des defauts (de croissances ou apres degradation) mais aussi a l'evaluation individuelle des performances des composants. . .
Monitoring Diptera species of medical and veterinary importance in Saudi Arabia: Comparative efficacy of lure-baited and chromotropic traps (2016)

A number of Diptera species have medical and veterinary importance as they cause myiasis and act as vectors for protozoans, helminth eggs, as well as bacterial pathogens. In this research here, eleven Diptera species were monitored in five locations in Northwestern part of Saudi Arabia, using three types of traps (lure-baited traps, window fly trap and yellow sticky traps). As a general trend, the dominant flies were Musca domestica, Musca sorbens, Calliphora sp., blowfly Chrysomya sp. and Sarcophaga haemorrhidalis. No significant differences were observed among the total number of flies collected indoor and outdoor at each site using different traps. In the slaughter house, the three types of traps showed significant differences in the mean of collected flies (F = 4.135). Lure-baited traps showed significant differences in the abundance of the flies collected over the other two traps. In vegetable markets, fly abundance varied significantly among the three types of traps (F = 13.934). In the animal market, the mean number of flies collected varied significantly among the three types of traps (F = 4.792). Similar patterns of variation in the number of flies collected by different traps were shown in farms (F = 4.747). However, in the residential area, no significant difference was detected in the mean number of flies collected by three traps (F = 2.620). M. domestica was found to be the most abundant species in all locations with a remarkable high abundance in animal facilities, and the lure-baited traps were found to be the most effective for monitoring fly abundance. Overall, our research adds basic knowledge for future control programs against flies of medical and veterinary importance in Saudi Arabia.
Evaluation of the First-Generation AAOS Clinical Guidelines on the Prophylaxis of Venous Thromboembolic Events in Patients Undergoing Total Joint Arthroplasty (2014)

Therapeutic Level IV. See Instructions for Authors for a complete description of levels of evidence.
Acoustic Signal Classification of Breathing Movements to Virtually Aid Breath Regulation (2013)

Monitoring breath and identifying breathing movements have settled importance in many biomedical research areas, especially in the treatment of those with breathing disorders, e.g., lung cancer patients. Moreover, virtual reality (VR) revolution and their implementations on ubiquitous hand-held devices have a lot of implications, which could be used as a simulation technology for healing purposes. In this paper, a novel method is proposed to detect and classify breathing movements. The overall VR framework is intended to encourage the subjects regulate their breath by classifying the breathing movements in real time. This paper focuses on a portion of the overall VR framework that deals with classifying the acoustic signal of respiration movements. We employ Mel-frequency cepstral coefficients (MFCCs) along with speech segmentation techniques using voice activity detection and linear thresholding to the acoustic signal of breath captured using a microphone to depict the differences between inhale and exhale in frequency domain. For every subject, 13 MFCCs of all voiced segments are computed and plotted. The inhale and exhale phases are differentiated using the sixth MFCC order, which carries important classification information. Experimental results on a number of individuals verify our proposed classification methodology.
A Vision-Based System for Power Transmission Facilities Detection (2013)

In this paper, we present the design and implementation of a vision system for power transmission facilities detection based on UAV videos. The vision system consists of two main parts, the client part and the server part. The aim of the system is to detect the power transmission facilities in complex background. In order to achieve this aim, several novel methods are proposed for detecting the power transmission facilities which include the power line, the power tower, and the insulator. The experiment results on real image data demonstrate that the proposed methods are accurate and effective. The system is presented to demonstrate the performance of the detection methods.
Inteelt en genetische diversiteit van 23 populaties van honden in België op basis van afstammingsgegevens van de KMSH (2012)

status: Published
Group structure and entitativity in group fitness: considering groupness at within- and between-group levels (2019)

Our research provides support for a brief measure of groupness, advances theory related to how individuals perceive exercise groups, and provides evidence regarding how broader experiences during exercise may relate to exercisers' perceptions of groupness.
Novel Cyanine Dyes with Vinylsulfone Group for Labeling Biomolecules (2012)

Novel vinylsulfone cyanine dyes (em. 550-850 nm) were designed and synthesized for fluorescent labeling of biomolecules via 1,2-addition reaction in aqueous conditions. Due to the virtue of chemical structures of both fluorophore and reactive group, these dyes could be significantly stable and reactive in various aqueous/organic conditions. A wide variety of pH, temperature, buffer concentration, and protein were tested for the optimal labeling condition.
Structure and function of Rnt1p: An alternative to RNAi for targeted RNA degradation (2018)

The double-stranded RNA-binding protein (dsRBP) family controls RNA editing, stability, and function in all eukaryotes. The central feature of this family is the recognition of a generic RNA duplex using highly conserved double-stranded RNA-binding domain (dsRBD) that recognizes the characteristic distance between the minor grooves created by the RNA helix. Variations on this theme that confer species and functional specificities have been reported but most dsRBPs retain their capacity to bind generic dsRNA. The ribonuclease III (RNase III) family members fall into four classes, represented by bacterial RNase III, yeast Rnt1p, human Drosha, and human Dicer, respectively. Like all dsRBPs and most members of the RNase III family, Rnt1p has a dsRBD, but unlike most of its kin, it poorly binds to generic RNA helices. Instead, Rnt1p, the only known RNase III expressed in Saccharomyces cerevisiae that lacks the RNAi (RNA interference) machinery, recognizes a specific class of stem-loop structures. To recognize the specific substrates, the dsRBD of Rnt1p is specialized, featuring a αβββααα topology and a sequence-specific RNA-binding motif at the C-terminus. Since the discovery of Rnt1p in 1996, significant progress has been made in studies of its genetics, function, structure, and mechanism of action, explaining the reasons and mechanisms for the increased specificity of this enzyme and its impact on the mechanism of RNA degradation. This article is categorized under: RNA Turnover and Surveillance > Turnover/Surveillance Mechanisms RNA Interactions with Proteins and Other Molecules > Protein-RNA Recognition RNA Processing > Processing of Small RNAs RNA Interactions with Proteins and Other Molecules > RNA-Protein Complexes.
Different cleavage sites are aligned differently in the active site of M1 RNA, the catalytic subunit of Escherichia coli RNase P. (1996)

We have studied RNase P RNA (M1 RNA) cleavage of model tRNA precursors that are cleaved at two independent positions. Here we present data demonstrating that cleavage at both sites depends on the 2'-OH immediately 5' of the respective cleavage site. However, we show that the 2-amino group of a guanosine at the cleavage site plays a significant role in cleavage at one of these sites but not at the other. These data suggest that these two cleavage sites are handled differently by the ribozyme. This theory is supported by our finding that the cross-linking pattern between Ml RNA and tRNA precursors carrying 4-thioU showed distinct differences, depending on the location of the 4-thioU relative to the respective cleavage site. These findings lead us to suggest that different cleavage sites are aligned differently in the active site, possibly as a result of different binding modes of a substrate to M1 RNA. We discuss a model in which the interaction between the 3'-terminal "RCCA" motif (first three residues interact) of a tRNA precursor and M1 RNA plays a significant role in this process.
Re-examining the role of ABA as the primary long-distance signal produced by water-stressed roots (2010)

The role of ABA as the primary long-distance signal produced by water-stressed roots and transported to stomata continues to be challenged. We have recently reported that expression of ABA biosynthetic genes in roots only increases in the later stage of water stress. Our results support the hypothesis that in early water stress, increased levels of ABA in xylem sap are due to leaf biosynthesis and translocation to roots and from there to xylem. If so, other xylem-borne chemicals may be the primary stress signal(s) inducing ABA biosynthesis in leaves. We found that apart from ABA, sulfate was the only xylem-borne chemical that consistently showed higher concentrations from early to later water stress. We also found increased expression of a sulfate transporter gene in roots from early water stress onwards. Moreover, using bioassays we found an interactive effect of ABA and sulfate in decreasing maize transpiration rate, as compared to ABA alone. While ABA is undoubtedly the key mediator of water stress responses such as stomatal closure, it may not be the primary signal produced by roots perceiving water stress.
Lawsone: Phenolic of Henna and Its Potential Use in Protein-Rich Foods and Staining (1997)

The leaves of Lawsonia inermis have been used since ancient times in the Indian Subcontinent for decorating and dyeing hands, soles, beard and hair and to impart beautiful shades of dark red color. An aqueous mixture is often used for medicinal purposes focusing various skin ailments. The lawsone, a brown color powder, was isolated from the leaves of L. inermis and was used as a staining agent for the resolved proteins in polyacrylamide gel electrophoresis (PAGE). It exhibited an excellent affinity to bind with a majority of the known proteins such as albumin, blood serum protein, keratin and casein.
Meso-scale topological cues influence extracellular matrix production in a large deformation, elastomeric scaffold model (2018)

Physical cues are decisive factors in extracellular matrix (ECM) formation and elaboration. Their transduction across scale lengths is an inherently symbiotic phenomenon that while influencing ECM fate is also mediated by the ECM structure itself. This study investigates the possibility of enhancing ECM elaboration by topological cues that, while not modifying the substrate macro scale mechanics, can affect the meso-scale strain range acting on cells incorporated within the scaffold. Vascular smooth muscle cell micro-integrated, electrospun scaffolds were fabricated with comparable macroscopic biaxial mechanical response, but different meso-scale topology. Seeded scaffolds were conditioned on a stretch bioreactor and exposed to large strain deformations. Samples were processed to evaluate ECM quantity and quality via: biochemical assay, qualitative and quantitative histological assessment and multi-photon analysis. Experimental evaluation was coupled to a numerical model that elucidated the relationship between the scaffold micro-architecture and the strain acting on the cells. Results showed an higher amount of ECM formation for the scaffold type characterized by lowest fiber intersection density. The numerical model simulations associated this result with the differences found for the change in cell nuclear aspect ratio and showed that given comparable macro scale mechanics, a difference in material topology created significant differences in cell-scaffold meso-scale deformations. These findings reaffirmed the role of cell shape in ECM formation and introduced a novel notion for the engineering of cardiac tissue where biomaterial structure can be designed to both mimick the organ level mechanics of a specific tissue of interest and elicit a desirable cellular response.
Solution and interfacial self-assembly of Bacillus subtilis bacterial lipoteichoic acid (LTA): nanoclustering, and effects of Ca2+ and temperature (2022)

Lipoteichoic acid (LTA) is a major structural and functional molecule in the Gram-positive bacteria membrane. Knowledge of LTA adsorption at interfaces and its solution self-assembly is crucial to understanding its role in bacterial adhesion and colonisation, infections and inflammations. Here, we report the self-assembly behaviour of LTA extracted from <i>Bacillus subtilis</i>, a Gram-positive bacterium, in an aqueous solution using cryogenic transmission electron microscopy (Cryo-TEM) and small-angle neutron scattering (SANS) and its adsorption behaviour at the solid-liquid interface using atomic force microscopy (AFM) imaging and quartz crystal microbalance with dissipation monitoring (QCM-D). The Cryo-TEM results indicated the formation of spherical LTA micelles that decreased in size on addition of calcium chloride (CaCl<sub>2</sub>), attributed to charge neutralisation and possible formation of stable Ca<sup>2+</sup>-bridges between the phosphate groups on neighbouring LTA chains. Analysis of the SANS data from the polydisperse LTA aggregates in solution using the <i>two Lorentzian model</i> revealed the existence of two correlation lengths, which could respectively account for the presence of LTA micelle clusters and the local structure arising from LTA intra-molecular interactions. In the presence of CaCl<sub>2</sub>, the decrease in the correlation lengths of the clusters indicated possible disruption of H-bonding by Ca<sup>2+</sup>, leading to poorer water-LTA interactions. At higher temperatures, the correlation length corresponding to the clusters increased, indicating a temperature assisted growth caused by the fluidization of micellar core and dehydration of the polar LTA chains. AFM imaging showed that adsorption of LTA aggregates at the SiO<sub>2</sub>-water interface was significantly prompted by the addition of CaCl<sub>2</sub>, also confirmed by QCM-D measurements. These unprecedented nanoscopic structural details on the morphology of LTA aggregates in solution and at the solid-liquid interface add to our fundamental understanding of its self-assembly behaviour hitherto underexplored.
Towards Mobile Computing Technology: TheVision of Fifth Generation Mobile Networks (2014)

GSM is the most successful mobile technology nowadays; moreover the market share of GSM is still rising. To maintain this rate of growth new services are needed. As it was in case of fixed telecommunications networks it seems that in the wireless networks mobile data providing is going to be the service driving the market. As mobile network operators face the growing demand, they have multiple choices to make their networks capable of providing higher data rates. The coming era of 4g systems is foreseeing a potential smooth merger of all these heterogeneous technologies with a natural progression to support seamless cost-effective high data rate global roaming, efficient personalized services, typical usercentric integrated service model, high Qos and overall stable system performance. However, every step in such technological advancements presents huge research challenges. This article aims to focus upon some of these potential challenges along with different proposed feasible and non-feasible solutions in the areas of mobile terminals and users, mobile services, mobile and wireless access networks, and communication, in order to give an in-depth view of the next-generation communication systems.
Molecular cloning and characterization of the insecticidal crystal protein gene of Bacillus thuringiensis var. tenebrionis (1987)

The insecticidal crystal protein gene of the coleopteran-toxic Bacillus thuringiensis var. tenebrionis has been isolated, and the nucleotide sequence has been determined. A total DNA library from var. tenebrionis was made in the plasmid vector pUC12. By using a synthetic 27-base oligonucleotide corresponding to a stretch of nine N-terminal amino acids of a tryptic fragment of purified crystal protein of var. tenebrionis as a probe, recombinant colonies were screened by in situ hybridization for the presence of the crystal protein gene. Positive clones obtained from this screening were further tested for toxicity. One recombinant, NSBP544 (which contained a 5.9-kilobase Bam HI insert), was toxic to larvae of Colorado potato beetle. Immunoblot analysis revealed that this clone produces two crystal-specific antigens of 65 and 73 kDa as do sporulating var. tenebrionis cells. However, purified crystal inclusions from var. tenebrionis contain a primary peptide component of 65 kDa. A 1932-base-pair open reading frame with a coding capacity of 73,119 Da has been identified by nucleotide sequencing analysis of the cloned crystal protein. In addition, mung bean nuclease mapping indicates that transcription of the crystal protein of var. tenebrionis initiates 130 base pairs upstream from the translational start site. Southern blot analysis using an internal 0.7-kilobase Eco RI fragment of pNSBP544 as a probe revealed that the crystal protein gene is located on a 90-MDa plasmid.