gebhart/patrepeval huggingface dataset:
Structure-Based Design and Development of Chemical Probes Targeting Putative MOR-CCR5 Heterodimers to Inhibit Opioid Exacerbated HIV-1 Infectivity (2021)

Crystal structures of ligand-bound G-protein-coupled receptors provide tangible templates for rationally designing molecular probes. Herein, we report the structure-based design, chemical synthesis, and biological investigations of bivalent ligands targeting putative mu opioid receptor C-C motif chemokine ligand 5 (MOR-CCR5) heterodimers. The bivalent ligand <b>VZMC013</b> possessed nanomolar level binding affinities for both the MOR and CCR5, inhibited CCL5-stimulated calcium mobilization, and remarkably improved anti-HIV-1<sub>BaL</sub> activity over previously reported bivalent ligands. <b>VZMC013</b> inhibited viral infection in TZM-bl cells coexpressing CCR5 and MOR to a greater degree than cells expressing CCR5 alone. Furthermore, <b>VZMC013</b> blocked human immunodeficiency virus (HIV)-1 entry in peripheral blood mononuclear cells (PBMC) cells in a concentration-dependent manner and inhibited opioid-accelerated HIV-1 entry more effectively in phytohemagglutinin-stimulated PBMC cells than in the absence of opioids. A three-dimensional molecular model of <b>VZMC013</b> binding to the MOR-CCR5 heterodimer complex is constructed to elucidate its mechanism of action. <b>VZMC013</b> is a potent chemical probe targeting MOR-CCR5 heterodimers and may serve as a pharmacological agent to inhibit opioid-exacerbated HIV-1 entry.
Engineering Polymer Hydrogel Nanoparticles for Lymph Node‐Targeted Delivery (2015)

The induction of antigen-specific adaptive immunity exclusively occurs in lymphoid organs. As a consequence, the efficacy by which vaccines reach these tissues strongly affects the efficacy of the vaccine. Here, we report the design of polymer hydrogel nanoparticles that efficiently target multiple immune cell subsets in the draining lymph nodes. Nanoparticles are fabricated by infiltrating mesoporous silica particles (ca. 200 nm) with poly(methacrylic acid) followed by disulfide-based crosslinking and template removal. PEGylation of these nanoparticles does not affect their cellular association in vitro, but dramatically improves their lymphatic drainage in vivo. The functional relevance of these observations is further illustrated by the increased priming of antigen-specific T cells. Our findings highlight the potential of engineered hydrogel nanoparticles for the lymphatic delivery of antigens and immune-modulating compounds.
CW operation at - 10°C for InGaAlP visible light laser diodes grown by MOCVD (1985)

CW operation at - 10°C for InGaP/InGaAlP double heterostructure (DH) laser diodes has been achieved for the first time. The DH wafers were grown by low-pressure metalorganic chemical vapour deposition using methyl metalorganics as the source of group III elements. Under room-temperature pulsed operation, the lasing wavelength was 663 nm and the lowest threshold current density was 7.8 kA/cm2. The CW characteristic temperature T0 was 63 K at around -30°C.
Electrochemically initiated chain polymerization of pyrrole in aqueous media (1992)

Abstract The electrochemical quartz crystal microbalance has been employed to investigate the electropolymerization of pyrrole in a variety of aqueous electrolytes. In contrast to the generally accepted cation–radical coupling process for the electropolymerization of pyrrole, an electrochemically initiated chain polymerization, featuring a high polymerization rate and involving little charge transport, was found under specific conditions in the presence of ClO − 4 , BF − 4 , and PF − 6 electrolytes. The more typical cation‐radical coupling mechanism, characterized by a constant polymerization charge to mass deposited ratio, is observed in the presence of Cl − , NO − 3 , dodecyl sulfate, copper phthalocyanine tetrasulfonate, β‐cyclodextrin tetradecasulfate, and poly(styrene sulfonate). Electrochemical characterizations of polypyrrole films prepared in aqueous ClO − 4 electrolytes reveal that the polymer formed via chain polymerization exhibits the ability to transport both cations and anions during electrochemical switching between redox states, while the polymer synthesized through cation‐radical coupling is only capable of transporting a single ionic species.
Potentiation of Immune Response from Polymer-Entrapped Antigen: Toward Development of Single Dose Tetanus Toxoid Vaccine (2003)

Poly(lactide) (PLA) polymer particles entrapping immunoreactive tetanus toxoid (TT) were used for generation of immune response using single point immunization. Immunization with different sizes of polymer particles encapsulating immunoreactive TT elicited anti-TT antibody titers that persisted for more than 5 months. However, antibody response generated by single point immunization of either nanoparticles or microparticles were lower than the conventional two doses of alum adsorbed TT. To overcome this limitation, alum was used with particles that improved anti-TT antibody response. Immunization with nanoparticles along with alum resulted in very high and early immune response: high anti-TT antibody titers were detected as early as 15 days postimmunization. However anti-TT antibody titers declined rapidly with time. Immunization with admixture of microparticles and alum elicited higher antibody titers than the particles alone and the antibody titers were high particularly during the later part of the postimmunization period. Single point immunization with admixture of PLA microparticles and alum resulted in an antibody response very close to that achieved by two injection of alum-adsorbed TT. Physical mixture of both a nano- and microparticles along with alum resulted in sustained anti-TT antibody response from very early days of postimmunization until 150 days. The antibody titers were maintained around 50 microg/ml for more than 5 months. These results indicated that immune response from polymer particles can be further improved by use of additional adjuvant. Furthermore, using various size particles or physical mixture of different size particles along with alum, it is possible to modulate the kinetics of immune response using polymer particles based immunization.
The Usefulness of the Chronic Obstructive Pulmonary Disease Assessment Test (2011)

Background: A chronic obstructive pulmonary disease (COPD) assessment test (CAT) has recently been developed as a short and simple method for assessing the quality of life in COPD patients. The object of this study was to assess the usefulness of the Korean version of the CAT for assessing COPD patients in an outpatient clinic. Methods: The study included 60 COPD patients in a stable state from an outpatient clinic. The authors investigated the frequency of acute exacerbation during aprevious year through reviewing medical records. We evaluated the spirometry test, a 6-min walk distance test, and obtained the MMRC dyspnea scale, the Korean version of the CAT, and the BODE index at the time of visit. To assess the usefulness of the CAT, correlations between the CAT and other methods were evaluated. Results: The mean age of patients was 68.3±8.6 years and 95% of patient s were male. There was a significant correlation between the CAT score and FEV1% (r=−0.323, p=0.012), the frequency of acute exacerbation (r=0.292, p=0.024), the MMRC dyspnea scale (r=0.554, p＜0.001), the BODE index (r=0.380, p=0.003), and 6 MWD (r= −0.372, p=0.004). The mean CAT score increased according to the GOLD stage (stage 1, 10.7±4.5; stage 2, 13.1±7.9; stage 3, 16.3±6.2; stage 4, 16.5±14.8; p=0.746). Conclusion: The CAT was shown to be useful for the assessment of COPD severity. Therefore, the CAT is an easily applied and simple method for assessing COPD severity in an outpatient clinic.
Esomeprazole 20 mg and lansoprazole 15 mg in maintaining healed reflux oesophagitis: Metropole study results (2003)

Esomeprazole 20 mg o.d. is a more effective maintenance treatment than lansoprazole 15 mg o.d. for symptom-free patients with healed RO.
Cancer and the FRA3B/FHIT fragile locus: it's a HIT (2003)

The FHIT gene encompassing the most active common human chromosomal fragile region, FRA3B, was discovered in 1996 and proposed as a tumour suppressor gene for important human cancers. Seven years and more than 350 reports later, early questions concerning its tumour suppressor role have been answered. Recent studies on the role of Fhit loss in major types of human cancers report association with high proliferative and low apoptotic indices, node positivity, loss of mismatch repair protein, likelihood of progression and reduced survival.
Discovery of Novel Symmetrical 1,4-Dihydropyridines as Inhibitors of Multidrug-Resistant Protein (MRP4) Efflux Pump for Anticancer Therapy (2020)

Despite the development of targeted therapies in cancer, the problem of multidrug resistance (MDR) is still unsolved. Most patients with metastatic cancer die from MDR. Transmembrane efflux pumps as the main cause of MDR have been addressed by developed inhibitors, but early inhibitors of the most prominent and longest known efflux pump P-glycoprotein (P-gp) were disappointing. Those inhibitors have been used without knowledge about the expression of P-gp by the treated tumor. Therefore the use of inhibitors of transmembrane efflux pumps in clinical settings is reconsidered as a promising strategy in the case of the respective efflux pump expression. We discovered novel symmetric inhibitors of the symmetric efflux pump MRP4 encoded by the ABCC4 gene. MRP4 is involved in many kinds of cancer with resistance to anticancer drugs. All compounds showed better activities than the best known MRP4 inhibitor MK571 in an MRP4-overexpressing cell line assay, and the activities could be related to the various substitution patterns of aromatic residues within the symmetric molecular framework. One of the best compounds was demonstrated to overcome the MRP4-mediated resistance in the cell line model to restore the anticancer drug sensitivity as a proof of concept.
Palladium-Catalyzed Amination of Aryl Bromides:  Use of Phosphinoether Ligands for the Efficient Coupling of Acyclic Secondary Amines (1997)

ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTPalladium-Catalyzed Amination of Aryl Bromides: Use of Phosphinoether Ligands for the Efficient Coupling of Acyclic Secondary AminesJean-François Marcoux, Seble Wagaw, and Stephen L. BuchwaldView Author Information Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 Cite this: J. Org. Chem. 1997, 62, 6, 1568–1569Publication Date (Web):March 21, 1997Publication History Received10 December 1996Published online21 March 1997Published inissue 1 March 1997https://pubs.acs.org/doi/10.1021/jo9622946https://doi.org/10.1021/jo9622946rapid-communicationACS PublicationsCopyright © 1997 American Chemical SocietyRequest reuse permissionsArticle Views2718Altmetric-Citations180LEARN 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-AlertscloseSupporting Info (1)»Supporting Information Supporting Information SUBJECTS:Amines,Catalysts,Ligands,Organic reactions,Palladium Get e-Alerts
Emicizumab Prophylaxis in Hemophilia A with Inhibitors (2017)

Emicizumab prophylaxis was associated with a significantly lower rate of bleeding events than no prophylaxis among participants with hemophilia A with inhibitors. (Funded by F. Hoffmann-La Roche and Chugai Pharmaceutical; HAVEN 1 ClinicalTrials.gov number, NCT02622321 .).
Detecting and identifying aqueous solutions of hydrocarbons with a gold nanoparticle chemiresistor sensor array (2010)

A sensor array of gold nanoparticle chemiresistors, functionalized with a variety of thiolate ligands, was used to detect different hydrocarbons dissolved in water. Discriminant analysis of the sensor responses showed that the diluted saturated solutions of kerosene, turpentine, two types of oil and three types of petrol could be clearly identified across a range of concentrations.
Sandwich Complexes Containing Bent Palladium Chains (2006)

Hold the mayo! Sandwich complexes containing the arch-shaped Pd4 chain (upper structure; C blue, Pd orange) or the V-shaped Pd5 chain (lower) were synthesized and structurally characterized. The bending angles of the Pd chains reflect the p π-conjugated geometry of the template ligands. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2006/z601641_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
A general framework for continuous media transmission control (2002)

One of the major problems experienced with LAN-based videoconferencing systems is the degradation of conference latency and fidelity due to network congestion. In this paper, we present a comprehensive transmission control framework describing the relationship of latency and fidelity to properties of human perception and network congestion. We discuss how network factors such as physical link capacity and size of maximum transmission units may exacerbate the effects of congestion on the conference and how the impact of congestion can be ameliorated through judicious adaptation of the media streams' bit and message rates. Finally, we demonstrate the ability of an adaptive transmission control algorithm based upon the framework to produce low-latency, high-fidelity conferences over congested internetworks.
Training Object Detection And Recognition CNN Models Using Data Augmentation (2017)

Recent progress in deep learning methods has shown that key steps in object detection and recognition, including feature extraction, region proposals, and classification, can be done using Convolutional Neural Networks (CNN) with high accuracy. However, the use of CNNs for object detection and recognition has significant technical challenges that still need to be addressed. One of the most daunting problems is the very large number of training images required for each class/label. One way to address this problem is through the use of data augmentation methods where linear and nonlinear transforms are done on the training data to create "new" training images. Typical transformations include spatial flipping, warping and other deformations. An important concept of data augmentation is that the deformations applied to the labeled training images do not change the semantic meaning of the classes/labels. In this paper we investigate several approaches to data augmentation. First, several data augmentation techniques are used to increase the size of the training dataset. Then, a Faster R-CNN is trained with the augmented dataset for detect and recognize objects. Our work is focused on two different scenarios: detecting objects in the wild (i.e. commercial logos) and detecting objects captured using a camera mounted on a computer system (i.e. toy animals).
Relationship of occlusal status with health‐related quality of life among older adults in long‐term care facilities (2023)

Occlusal status of partial or complete denture/s with or without natural teeth or natural teeth having 10 or more occlusal CU was associated with higher HRQoL than other statuses.
Proteome informatics for cancer research: From molecules to clinic (2007)

Proteomics offers the most direct approach to understand disease and its molecular biomarkers. Biomarkers denote the biological states of tissues, cells, or body fluids that are useful for disease detection and classification. Clinical proteomics is used for early disease detection, molecular diagnosis of disease, identification and formulation of therapies, and disease monitoring and prognostics. Bioinformatics tools are essential for converting raw proteomics data into knowledge and subsequently into useful applications. These tools are used for the collection, processing, analysis, and interpretation of the vast amounts of proteomics data. Management, analysis, and interpretation of large quantities of raw and processed data require a combination of various informatics technologies such as databases, sequence comparison, predictive models, and statistical tools. We have demonstrated the utility of bioinformatics in clinical proteomics through the analysis of the cancer antigen survivin and its suitability as a target for cancer immunotherapy.
Nonlinear holographic imaging of terahertz radiation (2011)

We present a theoretical investigation of a non-collinear sum frequency generation in an electro-optic crystal between visible and THz radiation. This coherent mixing results in the encoding of the spatial phase of the THz object field onto the visible wave. The "crystal + optical pump" system behaves as a lens for the THz field. The THz field is converted into the visible range, but with a phase-preserving transformation analogous to holography. This scheme provides an imaging capability, and we can thus record THz scenes with conventional optical detectors that are much more sensitive than THz sensors. We show that a Nonlinear Snell-Descartes' Lens Formula can be derived from our analysis; in comparison to the classical one, this generalized lens formula exhibits an additional magnification factor proportional to the ratio between the optical and THz wavelength.
Ocular Toxicity Profile of ST-162 and ST-168 as Novel Bifunctional MEK/PI3K Inhibitors (2018)

Novel MEK and PI3K bifunctional inhibitors ST-162 and ST-168 demonstrate favorable in vitro and in vivo ocular toxicity profiles, supporting their further development as potential therapeutic agents targeting multiple aggressive tumors.
Fair queueing algorithm using channel status information in an integrated CDMA system (2003)

A Fair Queueing Algorithm is proposed for data services in an integrated voice/data CDMA system. We introduce short-term and long-term fairness concepts to allocate data users fairly. Using these concepts, we propose a Weighted Fair Queueing with Status Control (WFQS) in the consideration of a Generalized Processor Sharing (GPS) fluid-flow model. This proposed scheme allocates resources using channel status information. The throughput and delay of data users could be improved when this scheme is applied to wireless channels.
Extreme nonlinear plasmonic phenomena in nanostructured graphene (Conference Presentation) (2017)

The realization of efficient high-harmonic generation (HHG) in solid-state systems is anticipated to pave the way for compact ultraviolet and ultrafast light sources, and to provide fundamental insight into quantum many-body electron motion [1-3]. Here we argue that the large light intensity required for HHG to occur can be reached by exploiting localized plasmons in doped graphene nanostructures. In particular, we demonstrate that the synergistic combination of strong plasmonic near-field enhancement and a large intrinsic nonlinearity originating from the anharmonic charge-carrier dispersion of graphene result in efficient broadband high-harmonic generation within a single material [4]. We extract this conclusion from rigorous time-domain simulations using complementary nonperturbative approaches based on atomistic one-electron density matrix and massless Dirac-fermion Bloch-equation pictures, where the latter treatment is supplemented by a classical electromagnetic description of the plasmonic near-field enhancement produced by the illuminated nanostructure. High harmonics are predicted to be emitted with unprecedentedly large intensity by tuning the incident light to the localized plasmon resonances of ribbons and finite islands, which in turn can be actively modulated via electrical gating. In contrast to HHG in atomic systems, we observe no cutoff in harmonic order, while a comparison of graphene plasmon-assisted HHG to recent measurements in solid-state systems suggests that the HHG yields from bulk semiconductors can be produced by graphene plasmons using 3-4 orders of magnitude lower pulse fluence. Our results support the strong potential of nanostructured graphene as a robust, electrically-tunable platform for HHG.
Visualization and analysis of capsid dimorphism in hepatitis B virus to 17 Å resolution by cryo-electron microscopy (1996)

Hepatitis B virus (HBV) is an enveloped virus with an icosahedral capsid. Its homodimeric capsid protein assembles into particles of two sizes - one with T=3 icosahedral symmetry (90 dimers), the other with T=4 symmetry (120 dimers). Both sizes of particle are found in vivo as well as in expression systems. We have developed an in vitro assembly system using purified, bacterially expressed, capsid proteins. Capsids assembled from different protein constructs were studied by cryo-electron microscopy using a Philips CM20 microscope equipped with a field emission gun operating at 120 keV. Capsids assembled from the different protein constructs were assayed by cryo-electron microscopy and sucrose gradient fractionation. Cryo-electron microscopy was required to identify the two different sizes of capsids and the small population of misshapen particles, and also to ascertain the quality of the gradient fractionation (Figure 1, 2). The protein constructs lacked the predominantly basic C-terminal 34 amino acids of the full-length capsid protein (183 amino acids), and were further truncated between residues 138 and 149. Constructs terminating between residue 140 and 149 assembled into mixtures of T=3 and T=4 particles; the smallest construct (138 residues) did not form capsids.