gebhart/patrepeval huggingface dataset:
Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation by Human Nicotinamide Phosphoribosyltransferase (2014)

Prolonged inhibition of nicotinamide phosphoribosyltransferase (NAMPT) is a strategy for targeting cancer metabolism. Many NAMPT inhibitors undergo NAMPT-catalyzed phosphoribosylation (pRib), a property often correlated with their cellular potency. To understand this phenomenon and facilitate drug design, we analyzed a potent cellularly active NAMPT inhibitor (GNE-617). A crystal structure of pRib-GNE-617 in complex with NAMPT protein revealed a relaxed binding mode. Consistently, the adduct formation resulted in tight binding and strong product inhibition. In contrast, a biochemically equipotent isomer of GNE-617 (GNE-643) also formed pRib adducts but displayed significantly weaker cytotoxicity. Structural analysis revealed an altered ligand conformation of GNE-643, thus suggesting weak association of the adducts with NAMPT. Our data support a model for cellularly active NAMPT inhibitors that undergo NAMPT-catalyzed phosphoribosylation to produce pRib adducts that retain efficient binding to the enzyme.
Facet investigation in selective epitaxial growth of Si and SiGe on (001) Si for optoelectronic devices (1998)

The facet evolution and growth rate of Si on {hkl} facets were investigated in the temperature range 700–850 °C using multilayer structures with thick Si and very thin SiGe markers prepared by selective epitaxial growth using low pressure chemical vapor deposition. The most stable facet, observed at all temperatures, is the high index plane {113}. It is the dominant facet up to the top of all mesas (∼1μm thick). Even at the corners of square dots steep {113} facets developed [angle of 72° with the (001) plane]. Several facets reported here are observed for the first time. In the 〈110〉 zone it is the {119} facet, while in the 〈100〉 zone two facets with Miller indices h≠k≠l≠h, the {018} and {0 1 12}, are found. The measured growth rate relationship is R111&amp;lt;R110&amp;lt;R113&amp;lt;R018&amp;lt;R119&amp;lt;R0112&amp;lt;R001. The activation energy of the growth rate Rhkl on the facet is roughly equal to the activation energy for growth on (001), which implies that the same step involved in the deposition limits the growth rate on (001) and on {hkl} surfaces (at least for the {111} and {113} facets). Only the {113} and {110} facets extend and grow from the beginning of the epitaxy up to the top. The first demonstration of photoluminescence from SiGe quantum wells grown on {113} Si is given.
A Theoretical Open Architecture Framework and Technology Stack for Digital Twins in Energy Sector Applications (2023)

Digital twin is often viewed as a technology that can assist engineers and researchers make data-driven system and network-level decisions. Across the scientific literature, digital twins have been consistently theorized as a strong solution to facilitate proactive discovery of system failures, system and network efficiency improvement, system and network operation optimization, among others. With their strong affinity to the industrial metaverse concept, digital twins have the potential to offer high-value propositions that are unique to the energy sector stakeholders to realize the true potential of physical and digital convergence and pertinent sustainability goals. Although the technology has been known for a long time in theory, its practical real-world applications have been so far limited, nevertheless with tremendous growth projections. In the energy sector, there have been theoretical and lab-level experimental analysis of digital twins but few of those experiments resulted in real-world deployments. There may be many contributing factors to any friction associated with real-world scalable deployment in the energy sector such as cost, regulatory, and compliance requirements, and measurable and comparable methods to evaluate performance and return on investment. Those factors can be potentially addressed if the digital twin applications are built on the foundations of a scalable and interoperable framework that can drive a digital twin application across the project lifecycle: from ideation to theoretical deep dive to proof of concept to large-scale experiment to real-world deployment at scale. This paper is an attempt to define a digital twin open architecture framework that comprises a digital twin technology stack (D-Arc) coupled with information flow, sequence, and object diagrams. Those artifacts can be used by energy sector engineers and researchers to use any digital twin platform to drive research and engineering. This paper also provides critical details related to cybersecurity aspects, data management processes, and relevant energy sector use cases.
Heat Shock Proteins and Autophagy Pathways in Neuroprotection: From Molecular Bases to Pharmacological Interventions (2018)

Neurodegenerative diseases (NDDs) such as Alzheimer's disease, Parkinson's disease and Huntington's disease (HD), amyotrophic lateral sclerosis, and prion diseases are all characterized by the accumulation of protein aggregates (amyloids) into inclusions and/or plaques. The ubiquitous presence of amyloids in NDDs suggests the involvement of disturbed protein homeostasis (proteostasis) in the underlying pathomechanisms. This review summarizes specific mechanisms that maintain proteostasis, including molecular chaperons, the ubiquitin-proteasome system (UPS), endoplasmic reticulum associated degradation (ERAD), and different autophagic pathways (chaperon mediated-, micro-, and macro-autophagy). The role of heat shock proteins (Hsps) in cellular quality control and degradation of pathogenic proteins is reviewed. Finally, putative therapeutic strategies for efficient removal of cytotoxic proteins from neurons and design of new therapeutic targets against the progression of NDDs are discussed.
[Efficacy and tolerance of a new formulation of amoxicillin 100 mg--clavulanic acid 12.5 mg in acute otitis in infants]. (1992)

A multicenter study of the new pediatric formulation of Augmentin (containing 100 mg amoxicillin and 12.5 mg clavulanic acid per ml) in acute otitis media (AOM) in patients aged three months to three years was carried out by hospital-based pediatricians. Study patients seen at the hospital outpatient clinics were given the drug in a daily dosage of 80 mg in three (83% of cases) or four (15%) divided doses for 6 to 10 days; 28% of patients were also given an antiinflammatory agent. A total of 83 patients with a mean age of 13.5 months were included (89% of patients were less than two years of age); one-third of these patients were included after failure of another antimicrobial agent (macrolide 46%, cephalosporin 23%). The AOM was bilateral in most patients (69.5%) and 46% of patients had a history of previous AOM. Temperature was elevated in 85% of cases and more than half the patients had gastrointestinal symptoms (vomiting, diarrhea) prior to initiation of the study drug. At the interim evaluation on the fourth treatment day, tympanic membranes were normal in 43.5% of cases and improved in 22% of cases. Over 92% of patients achieved resolution of their AOM by the end of the treatment period, regardless of whether or not myringostomy had been performed on Do. Among the 27 patients given the study drug as rescue therapy after failure of another antimicrobial, 24 (89%) recovered fully.(ABSTRACT TRUNCATED AT 250 WORDS)
One-Pot Two-Step Multicomponent Process of Indole and Other Nitrogenous Heterocycles or Amines toward α-Oxo-acetamidines (2016)

A cesium carbonate promoted three-component reaction of N-H containing heterocycles, primary or secondary amines, arylglyoxaldehydes, and anilines is reported. The key step involves a tandem sequence of N-1 addition of a heterocycle or an amine to preformed α-iminoketones, followed by an air- or oxygen-mediated oxidation to form α-oxo-acetamidines. The scope of the reaction is enticingly broad, and this novel methodology is applied toward the synthesis of various polycyclic heterocycles.
Estimation of band gap and particle size of TiO2 nanoparticle synthesized using sol gel technique (2014)

In this study, a sol-gel method was used to obtain titanium dioxide nanoparticles. Titanium isopropoxide was used as a precursor and Hydrochloric acid was added to adjust the pH of the solution. The sol obtained was dried at 80°C and calcined at 450°C for 3hrs. The UV absorption spectra of synthesized TiO2 sample exhibited strong absorptions below 400 nm. The band gap is estimated using the (αEphot)^2 versus Ephot plots. The band gap was found to be 3.4 eV for the synthesized sample which was larger than 3.2 eV for bulk TiO2. Also XRD analysis was carried out for the sample and the crystal size was calculated by Scherrer's formula. The Scanning Electron Microscope images confirmed the nano size of synthesized particle.
Enteric Virome and Bacterial Microbiota in Children With Ulcerative Colitis and Crohn Disease (2018)

Minor patterns in gut virome and bacterial community composition distinguish pediatric IBD patients from healthy controls. Probiotics are associated with bacterial microbiota composition. These exploratory results need confirmation in larger studies.
ChemInform Abstract: Improved Syntheses of Epristeride, a Potent Human 5α‐Reductase Inhibitor. (1995)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Building a better NetFlow (2004)

Network operators need to determine the composition of the traffic mix on links when looking for dominant applications, users, or estimating traffic matrices. Cisco's NetFlow has evolved into a solution that satisfies this need by reporting flow records that summarize a sample of the traffic traversing the link. But sampled NetFlow has shortcomings that hinder the collection and analysis of traffic data. First, during flooding attacks router memory and network bandwidth consumed by flow records can increase beyond what is available; second, selecting the right static sampling rate is difficult because no single rate gives the right tradeoff of memory use versus accuracy for all traffic mixes; third, the heuristics routers use to decide when a flow is reported are a poor match to most applications that work with time bins; finally, it is impossible to estimate without bias the number of active flows for aggregates with non-TCP traffic.In this paper we propose Adaptive NetFlow, deployable through an update to router software, which addresses many shortcomings of NetFlow by dynamically adapting the sampling rate to achieve robustness without sacrificing accuracy. To enable counting of non-TCP flows, we propose an optional Flow Counting Extension that requires augmenting existing hardware at routers. Both our proposed solutions readily provide descriptions of the traffic of progressively smaller sizes. Transmitting these at progressively higher levels of reliability allows graceful degradation of the accuracy of traffic reports in response to network congestion on the reporting path.
Old dilemma: asthma with irreversible airway obstruction or COPD (2015)

Older asthmatic patients may develop fixed airway obstruction and clinical signs of chronic obstructive pulmonary disease (COPD). We investigated the added value of pathological evaluation of bronchial biopsies to help differentiate asthma from COPD, taking into account smoking, age, and inhaled corticosteroid (ICS) use. Asthma and COPD patients (24 of each category) were matched for ICS use, age, FEV(1), and smoking habits. Five pulmonary and five general pathologists examined bronchial biopsies using an interactive website, without knowing patient information. They were asked to diagnose asthma or COPD on biopsy findings in both a pairwise and randomly mixed order of cases during four different phases, with intervals of 4-6 weeks, covering a maximal period of 36 weeks. Clinically concordant diagnoses of asthma or COPD varied between 63 %-73 %, without important differences between pairwise vs randomly mixed examination or between general vs pulmonary pathologists. The highest percentage of concordant diagnoses was in young asthmatic patients without ICS use and in COPD patients with ICS use. In non ICS users with fixed airway obstruction, a COPD diagnosis was favored if abnormal presence of glands, squamous metaplasia, and submucosal infiltrate was present and an asthma diagnosis in case of abnormal presence of goblet cells. In ICS users with fixed airway obstruction, abnormal presence of submucosal infiltrates, basement membrane thickening, eosinophils, and glands was associated with asthma. Histological characteristics in bronchial biopsies are reproducibly recognized by pathologists, yet the differentiation by histopathology between asthma and COPD is difficult without information about ICS use.
SIRT6 Deficiency Results in Severe Hypoglycemia by Enhancing Both Basal and Insulin-stimulated Glucose Uptake in Mice (2010)

Glucose homeostasis in mammals is mainly regulated by insulin signaling. It was previously shown that SIRT6 mutant mice die before 4 weeks of age, displaying profound abnormalities, including low insulin, hypoglycemia, and premature aging. To investigate mechanisms underlying the pleiotropic phenotypes associated with SIRT6 deficiency, we generated mice carrying targeted disruption of SIRT6. We found that 60% of SIRT6(-/-) animals had very low levels of blood glucose and died shortly after weaning. The remaining animals, which have relatively higher concentrations of glucose, survived the early post-weaning lethality, but most died within one year of age. Significantly, feeding the mice with glucose-containing water increased blood glucose and rescued 83% of mutant mice, suggesting that the hypoglycemia is a major cause for the lethality. We showed that SIRT6 deficiency results in more abundant membrane association of glucose transporters 1 and 4, which enhances glucose uptake. We further demonstrated that SIRT6 negatively regulates AKT phosphorylation at Ser-473 and Thr-308 through inhibition of multiple upstream molecules, including insulin receptor, IRS1, and IRS2. The absence of SIRT6, consequently, enhances insulin signaling and activation of AKT, leading to hypoglycemia. These data uncover an essential role of SIRT6 in modulating glucose metabolism through mediating insulin sensitivity.
Sterol‐polyene antibiotic complexation: Probe of membrane structure (1978)

Polyene antibiotics are useful tools for studying the role of sterols in biological membranes. The interaction of polyene antibiotics with membrane-bound sterols in artificial membrane systems, prokaryotic and eukaryotic cells, and lipid-containing viruses is reviewed. The pentaene macrolide, filipin, is shown to serve as a probe of phosphatidylcholine-sterol interaction and of the localization of cholesterol in the membrane of mycoplasmas.
Correction: Optimisation of the dibromomaleimide (DBM) platform for native antibody conjugation by accelerated post-conjugation hydrolysis (2021)

Correction for ‘Optimisation of the dibromomaleimide (DBM) platform for native antibody conjugation by accelerated post-conjugation hydrolysis’ by Maurício Morais <italic>et al.</italic>, <italic>Org. Biomol. Chem.</italic>, 2017, <bold>15</bold>, 2947–2952, DOI: 10.1039/C7OB00220C.
New Synthon in the Design of ansa-Cyclopentadienyl Ligands with Variable Substitution at the Bridging Atom (2004)

This communication describes the synthesis and structural characterization of a potassium fulvene-substituted cyclopentadienyl compound which acts as a synthon in the facile preparation of ansa-metallocene complexes with variable substitution at the bridging atom.
Falling film transition and heat transfer on horizontal circular cylinders (2010)

In this paper, an investigati on of liquid film falling over three horizontal cylinders is presente d. A numerical investigation verified with experimental re sults is carried out using a computational fluid dynamics (C FD) code, FLUENT, for 2D and 3D configurations towards better design of beds of irrigated horticultural produce. The primary objective of the present study is to use numerical predictions to study the effect s of liquid flow rate, cylinder diameter and the heat flux towards reducing energy and water requirements in cooling horticultural produce. The present numerical results show good agreement with the experimental results. The use of a numerical tool has resulted in a detailed investigation of flow and heat transfer characteristics which have not been available in the literature previously.
A secure peer-to-peer web framework (2010)

We present the design and evaluation of a secure peer-to-peer HTTP middleware framework that enables a multitude of web applications without relying on service providers. The framework is designed to be deployed in existing network environments, allowing ordinary users to create private services without investing in network infrastructure. Compared to previous work, scalability, NAT/firewall traversal and peer mobility is achieved without the need for maintaining dedicated servers by utilizing new network protocols and re-using existing network resources.
BI-2536 and BI-6727, dual Polo-like kinase/bromodomain inhibitors, effectively reactivate latent HIV-1 (2018)

HIV-1 latent reservoirs harbouring silenced but replication-competent proviruses are a major obstacle against viral eradication in infected patients. The "shock and kill" strategy aims to reactivate latent provirus with latency reversing agents (LRAs) in the presence of antiretroviral drugs, necessitating the development of effective and efficient LRAs. We screened a chemical library for potential LRAs and identified two dual Polo-like kinase (PLK)/bromodomain inhibitors, BI-2536 and BI-6727 (volasertib), which are currently undergoing clinical trials against various cancers. BI-2536 and BI-6727 significantly reactivated silenced HIV-1 provirus at both the mRNA and protein level in two latently infected model cell lines (ACH2 and U1). BI-2536 dramatically reactivated transcription of latent HIV-1 provirus in peripheral blood mononuclear cells derived from infected patients. Long terminal repeat activation by the inhibitors was associated with bromodomain rather than PLK inhibition. We also found that BI-2536 synergistically activates the latent provirus in combination with SAHA, a histone deacetylase inhibitor, or the non-tumour-promoting phorbol ester prostratin. Our findings strongly suggest that BI-2536 and BI-6727 are potent LRAs for the "shock and kill" HIV-1 eradication strategy.
A semantic framework for the design of data distribution schemes (2002)

We propose a semantic framework (meta model and rules) supporting correctness and completeness of data distribution schemes for homogeneous databases. This framework supports model fragmentation, instance fragmentation and conditional fragmentation, based either on a single condition or a conjunction of two conditions. It also supports the allocation of fragments. We also present a solution for determining rule priority.
A Deep Neural Network-Based Indoor Positioning Method using Channel State Information (2018)

The channel state information (CSI) measurement, which characterizes the multipath channel between the transmitter and the receiver, can serve as a fingerprint for the receiver position. Recently, a series of deep learning-based indoor positioning fingerprinting (FP) methods using CSI have been proposed to enhance the localization performance. In this paper, we present a deep neural network (DNN)-based indoor positioning FP system using CSI, which is termed DNNFi. The proposed DNNFi, which maintains a single DNN instead of multiple deep autoencoders at different reference points, allows a faster computation for the online inference and a lower memory usage for the weights/biases. A stack of autoencoders is utilized to pre-train the weights layer-by-layer. The softmax function is utilized to decide the probabilities of the receiver position being on these reference points, which can be used to estimate the receiver position. Experimental results are presented to confirm that DNNFi can effectively reduce location error compared with the conventional CSI positioning FP approaches.
The Preparation of 4-Pentenenitriles and 3,4-Pentadienenitriles from N-(2-Alkenyl)- and N-(2-Alkynyl)amides (1965)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe Preparation of 4-Pentenenitriles and 3,4-Pentadienenitriles from N-(2-Alkenyl)- and N-(2-Alkynyl)amidesKent C. Brannock and Robert D. BurpittCite this: J. Org. Chem. 1965, 30, 8, 2564–2565Publication Date (Print):August 1, 1965Publication History Published online1 May 2002Published inissue 1 August 1965https://doi.org/10.1021/jo01019a016RIGHTS & PERMISSIONSArticle Views132Altmetric-Citations27LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (268 KB) Get e-Alerts Get e-Alerts
Defense against unknown broadband jammer for time‐critical operation in smart grid (2019)

In this work, the authors consider the communication network of a power substation, where multiple intelligent electronic devices (IEDs) transmit their delay sensitive control and monitoring messages to a common receiver over a wireless network; in the presence of a broadband jammer, which is capable of jamming multiple channels simultaneously. The objective of the IEDs is to successfully transmit their messages within a specified time, whereas the jammer wants to obstruct IED's transmission. A novel utility function is designed for the players, that addresses the time‐critical nature of communication. Due to the conflicting interest of the IEDs and the jammer, they model the interaction between them as a repeated Bayesian zero‐sum game, which also addresses the repeated interaction among the IEDs and the jammer, and the unavailability of exact information about the jammer. The equilibrium strategies for both the scenarios of perfect and imperfect monitoring are derived and verified through simulation results. Further, the performance of the proposed game model in various scenarios is thoroughly compared in the result section. Finally, the efficacy of the proposed defence strategies is tested in a practical communication network of a power substation under jamming, which is simulated in Optimised Network Engineering Tool (OPNET).