gebhart/patrepeval huggingface dataset:
Melatonin receptor ligands: A pharmaco‐chemical perspective (2020)

Melatonin MT<sub>1</sub> and MT<sub>2</sub> receptor ligands have been vigorously explored for the last 4 decades. Inspection of approximately 80 publications in the field revealed that most melatonergic ligands were structural analogues of melatonin combining three essential features of the parent compound: an aromatic ring bearing a methoxy group and an amide side chain in a relative arrangement similar to that present in melatonin. While several series of MT<sub>2</sub> -selective agents-agonists, antagonists, or partial agonists-were reported, the field was lacking MT<sub>1</sub> -selective agents. Herein, we describe various approaches toward the development of melatonergic ligands, keeping in mind that most of the molecules/pharmacophores obtained were essentially melatonin copies, even though diverse tri- or tetra-cyclic compounds were explored. In addition to lack of structural diversity, only few studies examined the activity of the reported melatonergic ligands in vivo. Moreover, an extensive pharmacological characterization including biopharmaceutical stability, pharmacokinetic properties, specificity toward other major receptors to name a few remained scarce. For example, many of the antagonists described were not stable in vivo, were not selective for the melatonin receptor subtype of interest, and were not fully characterized from a pharmacological standpoint. Indeed, virtual screening of large compound libraries has led to the recent discovery of potent and selective melatonin receptor agonists and partial agonists of new chemotypes. Having said this, the melatonergic field is still lacking subtype-selective melatonin receptor antagonists "active" in vivo, which are critical to our understanding of melatonin and melatonin receptors' role in basic physiology and disease.
Toward 2 W , beyond web 2.0 (2009)

2 W is a result of the exponentially growing Web building on itself to move from a Web of content to a Web of applications.
Ethical Applications of Artificial Intelligence: Evidence From Health Research on Veterans (2021)

These principles and applications apply more generally to vulnerable groups, and adherence to them can allow the VA and other organizations to continue modernizing their technology governance, leveraging the gains of AI while simultaneously managing its risks.
Experimental verification of a bridge-shaped, non-linear vibration energy harvesters (2014)

This paper reports the modeling and a first experimental characterization of a bridge-shaped doubly clamped nonlinear energy harvester. The doubly clamped beam at large deflection induces stretching strain in the layers in addition to the bending strain, which stiffens the beam as the beam deflects and transforms the dynamics to the nonlinear regime widening the frequency bandwidth. The sectional behavior of the bridge-beam has been studied through the Classical Lamination Theory (CLT) specifically modified to introduce the piezoelectric coupling and nonlinear Green-Lagrange strain tensor. A lumped parameter model has been built through separation of variables method, this results in coupled motion equations which include additional non-common terms originating from a correct analysis of piezoelectrics coupling in nonlinear strain context. The model has been validated through tests on a mesoscale prototype. The prototype consists of a Macro Fiber Composite (MFC, Smart-material) piezoelectric patch glued on a thin aluminum layer and a lead proof mass is attached at mid span. The beam is doubly clamped on an aluminum support. The device is tested in open circuit and the frequency response is measured at different acceleration amplitudes. Despite of the fact that the resulting high mechanical damping reduces the oscillation amplitude, the experimental data show a significant nonlinear behavior. These results are compared to the modeling showing good accordance.
Genetics of pulmonary hypertension in the clinic (2017)

Genetic counseling and testing has to be implemented in pulmonary hypertension centers.
Natural products as sources of herbicides: current status and future trends (2000)

Although natural product‐based discovery strategies have not been as successful for herbicides as for other pesticides or pharmaceuticals, there have been some notable successes. Phosphinothricin, the biosynthetic version of glufosinate, and bialaphos are phytotoxic microbial products that have yielded commercial herbicides. Cinmethylin, a herbicidal analogue of cineole, has been sold in Europe and Asia. The triketone herbicides are derivatives of the plant‐produced phytotoxin leptospermone. These products represent only a small fraction of commercialized herbicides, but they have each introduced a novel molecular target site for herbicides. Analysis of the literature reveals that phytotoxic natural products act on a large number of unexploited herbicide target sites. The pesticide industry’s natural product discovery efforts have so far concentrated on microbially derived phytotoxins, primarily from non‐pathogenic soil microbes, involving the screening of large numbers of exotic isolates. Plant pathogens usually produce potent phytotoxins, yet they have received relatively little attention. Even less effort has been made to discover plant‐derived phytotoxins. Bioassay‐directed isolation has been the preferred method of discovery after a producing organism is selected. This laborious approach often leads to rediscovery of known compounds. Modern tandem separation/chemical characterization instrumentation can eliminate much of this problem by identification of compounds before they are bioassayed.
Heterogeneous nuclear RNPs as targets of autoantibodies in systemic rheumatic diseases (2011)

Several hnRNPs are target antigens in SS. The combined presence of antibodies to several hnRNPs was strongly associated with connective tissue disease in general and with SS in particular.
Implementation of the DLNA Proxy System for Sharing Home Media Contents (2007)

The paper proposes a methodology to provide services for accessing and sharing various media contents securely, those are distributed over consumer electronics (CEs) in the home network. To do so, we propose the DLNA proxy system (DPS) architecture which helps to gather various media information available from the distributed AV devices in the home and to share the media contents across the public IP network via established secure channels. The proxy system is implemented on the home server which acts as media server and the hardware accelerated IP security (IPSec) virtual private network (VPN) is configured on the home gateway which establishes and maintains secure connections between the home and public networks.
Simulating Partial Mesh of Multipoint-to-Multipoint (MP2MP) Provider Tunnels with Ingress Replication (2016)

RFC 6513 (Multicast in MPLS/BGP IP VPNs) describes a method to
support bidirectional customer multicast flows using a partial mesh of
Multipoint-to-Multipoint (MP2MP) tunnels. This document specifies how
a partial mesh of MP2MP tunnels can be simulated using Ingress
Replication. This solution enables a service provider to use Ingress
Replication to offer transparent bidirectional multicast service to
its VPN customers.
Trends and Factors Associated With Receipt of Upfront Surgery for Stage II to III Rectal Adenocarcinoma in the United States, 2006 to 2016 (2021)

Introduction: The German rectal study published in 2004 established neoadjuvant chemoradiation as a standard of care for locally advanced rectal cancer and current National Comprehensive Cancer Network guidelines endorse several preoperative regimens. Upfront surgery, however, is considered substandard care. In the era of evolving treatment paradigms for locally advanced rectal cancer, we sought to assess trends and predictors of receipt of upfront surgery for stage II to III rectal cancer. Methods: The National Cancer Database was used to identify patients diagnosed with clinical stage II to III rectal adenocarcinoma between 2006 and 2016. Multivariable logistic regression defined adjusted odds ratios and associated 95% confidence intervals of receipt of upfront definitive surgery. The timing of upfront surgery relative to day of diagnosis and rate of receipt of adjuvant therapy were also estimated. Results: Among 51,562 patients, 6411 (12.4%) were treated with upfront surgery, which decreased from 16.7% in 2006 to 7.1% in 2016 ( P &lt;0.001). The majority of patients (5737 [89.5%]) had definitive surgery after initial diagnostic biopsy. Variables associated with receipt of upfront surgery included female sex, older age, higher comorbidity score, and treatment at a community cancer center ( P &lt;0.001). Among those receiving upfront surgery, 2904 (45.3%) received adjuvant radiation therapy, 3218 (50.2%) received adjuvant chemotherapy, and 2559 (39.9%) received no further treatment. Conclusions: The proportion of patients with clinical stage II to III rectal cancer treated with upfront surgery has steadily declined since 2006, however, certain subgroups appear to remain at greater risk. Further research is needed to better elucidate patient and systems-level factors contributing to these disparities in care.
A nonresolutive approach to the preparation of configurationally pure difunctional molecules (1982)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTA nonresolutive approach to the preparation of configurationally pure difunctional moleculesSandra Chillous, David J. Hart, and Douglas K. HutchinsonCite this: J. Org. Chem. 1982, 47, 27, 5418–5420Publication Date (Print):December 1, 1982Publication History Published online1 May 2002Published inissue 1 December 1982https://pubs.acs.org/doi/10.1021/jo00148a046https://doi.org/10.1021/jo00148a046research-articleACS PublicationsRequest reuse permissionsArticle Views265Altmetric-Citations38LEARN 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 InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
The safety ofBacillus subtilisandBacillus indicusas food probiotics (2008)

The results support the use of B. subtilis and B. indicus strains as food supplements.
Nonlinear Genetic-Based Models for Prediction of Flow Number of Asphalt Mixtures (2010)

Rutting has been considered the most serious distress in flexible pavements for many years. Flow number is an explanatory index for the evaluation of the rutting potential of asphalt mixtures. In this study, a promising variant of genetic programming, namely, gene expression programming (GEP), is utilized to predict the flow number of dense asphalt-aggregate mixtures. The proposed constitutive models relate the flow number of Marshall specimens to the coarse and fine aggregate contents, percentage of air voids, percentage of voids in mineral aggregate, Marshall stability, and Marshall flow. Different correlations were developed using different combinations of the influencing parameters. The comprehensive experimental database used for the development of the correlations was established on the basis of a series of uniaxial dynamic-creep tests conducted in this study. Relative importance values of various predictor variables were calculated to determine their contributions to the flow number prediction. A multiple-least-squares-regression (MLSR) analysis was performed to benchmark the GEP models. For more verification, a subsequent parametric study was carried out, and the trends of the results were confirmed with the results of previous studies. The results indicate that the proposed correlations are effectively capable of evaluating the flow number of asphalt mixtures. The GEP-based formulas are simple, straightforward, and particularly valuable for providing an analysis tool accessible to practicing engineers.
Selective Nickel Platinum Removal without Titanium Nitride Metal Gate Corrosion (2021)

During silicide formation, unreacted NiPt metals is traditionally removed either by aqua regia (ESH concern) or SPM. This latter can easily degrade the device yield in HKMG (High K Metal Gate) nodes if the metal gates (usually TiN based) aren’t perfectly encapsulated. First some new characterizations are presented to better understand the NiPt metal alloy removal, then a new solution is given to be able to remove this alloy without degrading HKMG materials.
Lithography-Free Nanostructure Fabrication Techniques Utilizing Thin-Film Edges (2011)

Fabricating nanoscale patterns with sub-10 nm feature size has been an important research target for potential applications in next-generation memories, microprocessors, logic circuits and other novel functional devices. Typically, according to the International Technology Roadmap for Semiconductor (ITRS) from 2009, an 8.9 nm node device is targeted for the year 2024. To achieve this milestone, liquid immersion lithography and extreme ultraviolet (EUV) lithography can be expected to be among the most commonly used techniques for the fabrication of nanopatterns. With liquid immersion lithography using a wavelength of 193 nm and a high numerical aperture (NA), it has been demonstrated that 32 nm features can be patterned (Finders et al., 2008; Sewell et al., 2009). EUV lithography using a short wavelength of 13.5 nm and 0.3-NA exposure tool has also enabled the printing of 22 nm half-pitch lines (Naulleau et al., 2009). On the other hand, attractive patterning techniques, such as a superlattice nanowire pattern transfer (SNAP) method (Melosh et al., 2003; Green et al., 2007), a mold-to-mold cross imprint (MTMCI) process (Kwon et al., 2005) and a surface sol-gel process combined with photolithography (Fujikawa et al., 2006), are currently proposed and pursued actively. The SNAP method, which is based on translating thin film growth thickness control into planar wire arrays, has enabled the production of molecular memories consisting of 16 nm wide titanium/silicon nanowires. The MTMCI process using silicon nanowires formed by spacer lithography, in which nanoscale line features are defined by the residual part of a conformal film on the edges of a support structure with the linewidth controlled by the film thickness, has been used to produce a large array of 30 nm wide silicon nanopillars. With the surface sol-gel process combined with photolithography, where the linewidth is determined by the thickness of coating silica layer on the resist pattern, the size reduction and the large area of sub-20 nm silica walls have been achieved. Recently, we have proposed a double nano-baumkuchen (DNB) structure, in which two thin slices of alternating metal/insulator nano-baumkuchen are attached so that the metal/insulator stripes cross each other, as part of a lithography-free nanostructure fabrication technology (Ishibashi, 2003 & 2004; Kaiju et al., 2008; Kondo et al., 2008). The schematic illustration of the fabrication procedure is shown in Fig. 1. First, the metal/insulator spiral heterostructure is fabricated using a vacuum evaporator including a film-rolled-up system. Then, two thin slices of the metal/insulator nano-baumkuchen
Sensory-motor interactions of human experimental unilateral jaw muscle pain: a quantitative analysis (1996)

Experimental muscle pain was elicited by bolus injection of 0.15 ml of 5% hypertonic saline into the human masseter muscle. The sensory experience was described using 10-cm visual analogue scales (VAS) and the McGill Pain Questionnaires (MPQ) on 10 subjects. Effects of pain on deliberately unilateral mastication were quantitatively assessed in 13 other male subjects using kinematic recordings of the mandible and jaw muscle electromyography (EMG). Jaw movement and EMG data were transformed into single masticatory cycles which were averaged within subjects to produce mean masticatory cycles. Injection of 5% saline through normal and anesthetized skin produced similar VAS profiles and MPQ features. Displacement of the mandible during painful mastication was significantly smaller in the vertical axis (10.0 +/- 11.5%, P < 0.05) and in the lateral axis (22.6 +/- 20.9%, P < 0.05) as compared to pre-pain values. The mean opening and closing velocities of the mandible were significantly reduced (10.5 +/- 16.3% and 15.3 +/- 21.2%, P < 0.05) and the cumulated distance of the jaw movement was also significantly smaller during pain (10.5 +/- 11.8%, P < 0.05). Moreover, agonist EMG activity during pain was significantly lower in the ipsilateral masseter muscle (20.3 +/- 25.4%, P < 0.05) as compared to pre-pain root-mean-square (RMS) values. The observed sensory-motor interactions can be explained by a facilitatory effect of activity in nociceptive muscle afferents on inhibitory brain-stem interneurons during agonist action. Thus, generated movements have smaller amplitudes and they are slower which most likely represents a functional adaptation to experimental jaw muscle pain.
Transcutaneous Measurement of Blood Analyte Concentration Using Raman Spectroscopy (2008)

Diabetes mellitus is a chronic disorder, affecting nearly 200 million people worldwide. Acute complications, such as hypoglycemia, cardiovascular disease and retinal damage, may occur if the disease is not adequately controlled. As diabetes has no known cure, tight control of glucose levels is critical for the prevention of such complications. Given the necessity for regular monitoring of blood glucose, development of non‐invasive glucose detection devices is essential to improve the quality of life in diabetic patients. The commercially available glucose sensors measure the interstitial fluid glucose by electrochemical detection. However, these sensors have severe limitations, primarily related to their invasive nature and lack of stability. This necessitates the development of a truly non‐invasive glucose detection technique. NIR Raman Spectroscopy, which combines the substantial penetration depth of NIR light with the excellent chemical specificity of Raman spectroscopy, provides an excellent tool to meet the challenges involved. Additionally, it enables simultaneous determination of multiple blood analytes. Our laboratory has pioneered the use of Raman spectroscopy for blood analytes’ detection in biological media. The preliminary success of our non‐invasive glucose measurements both in vitro (such as in serum and blood) and in vivo has provided the foundation for the development of feasible clinical systems. However, successful application of this technology still faces a few hurdles, highlighted by the problems of tissue luminescence and selection of appropriate reference concentration. In this article we explore possible avenues to overcome these challenges so that prospective prediction accuracy of blood analytes can be brought to clinically acceptable levels.
The EMBL Nucleotide Sequence Database (2000)

The European Molecular Biology Laboratory (EMBL) Nucleotide Sequence Database (http://www.ebi.ac. uk/embl/index.html ) is maintained at the European Bioinformatics Institute (EBI) in an international collaboration with the DNA Data Bank of Japan (DDBJ) and GenBank (USA). Data is exchanged amongst the collaborative databases on a daily basis. The major contributors to the EMBL database are individual authors and genome project groups. WEBIN is the preferred web-based submission system for individual submitters, whilst automatic procedures allow incorporation of sequence data from large-scale genome sequencing centres and from the European Patent Office (EPO). Database releases are produced quarterly. Network services allow free access to the most up-to-date data collection via Internet and WWW interfaces. EBI's Sequence Retrieval System (SRS) is a network browser for databanks in molecular biology, integrating and linking the main nucleotide and protein databases plus many specialised databases. For sequence similarity searching a variety of tools (e.g., BLITZ, FASTA, BLAST) are available which allow external users to compare their own sequences against the most currently available data in the EMBL Nucleotide Sequence Database and SWISS-PROT.
Editor's evaluation: Transcriptional regulation of Sis1 promotes fitness but not feedback in the heat shock response (2022)

The chaperones Hsp70 and Sis1 collaborate to repress the heat shock response and are both transcriptional targets of the heat shock response, yet only Hsp70 acts as a negative feedback regulator of the heat shock response.
On Ultrafast Optical Switching Based on Quantum-Dot Semiconductor Optical Amplifiers in Nonlinear Interferometers (2004)

It is shown that interferometers containing quantum-dot semiconductor optical amplifiers can be effective for ultrafast cross-phase modulation and digital signal processing with low dependence on the specific random data pattern.
Lithium diffusion in the spinel phaseLi4Ti5O12and in the rocksalt phaseLi7Ti5O12of lithium titanate from first principles (2014)

Lithium titanate (LTO) is a promising candidate as an anode material in future generations of lithium ion batteries due to its high intrinsic safety and stability. In this work, we investigate the diffusion barriers for lithium ions in two different crystal structures of LTO using the density functional theory. Our calculations show that the activation barriers vary between 0.30--0.48 eV for the spinel phase ${\mathrm{Li}}_{4}{\mathrm{Ti}}_{5}{\mathrm{O}}_{12}$ and between 0.20--0.51 eV in the lithiated rocksalt phase ${\mathrm{Li}}_{7}{\mathrm{Ti}}_{5}{\mathrm{O}}_{12}$. The origins of the rather broad ranges of activation energies are related to different chemical environments of the diffusion channels due to mixed occupancies of some sites in LTO. Our results reveal that the determination of lithium diffusion constants in LTO can not be carried out by using a single activation barrier. Instead, the local environment of the diffusion paths must be considered to correctly capture the variety of activation barriers. Moreover, we find the sites which have mixed occupation in LTO to trap lithium vacancies in the spinel phase. This effect is not observed in the rocksalt phase. This behavior explains the low lithium diffusivity found in experiments for lithium concentrations in the vicinity of the spinel phase.