gebhart/patrepeval huggingface dataset:
Inhibition and Structure of <i>Trichomonas vaginalis</i> Purine Nucleoside Phosphorylase with Picomolar Transition State Analogues (2006)

Trichomonas vaginalis is a parasitic protozoan purine auxotroph possessing a unique purine salvage pathway consisting of a bacterial type purine nucleoside phosphorylase (PNP) and a purine nucleoside kinase. Thus, T. vaginalis PNP (TvPNP) functions in the reverse direction relative to the PNPs in other organisms. Immucillin-A (ImmA) and DADMe-Immucillin-A (DADMe-ImmA) are transition state mimics of adenosine with geometric and electrostatic features that resemble early and late transition states of adenosine at the transition state stabilized by TvPNP. ImmA demonstrates slow-onset tight-binding inhibition with TvPNP, to give an equilibrium dissociation constant of 87 pM, an inhibitor release half-time of 17.2 min, and a Km/Kd ratio of 70,100. DADMe-ImmA resembles a late ribooxacarbenium ion transition state for TvPNP to give a dissociation constant of 30 pM, an inhibitor release half-time of 64 min, and a Km/Kd ratio of 203,300. The tight binding of DADMe-ImmA supports a late SN1 transition state. Despite their tight binding to TvPNP, ImmA and DADMe-ImmA are weak inhibitors of human and P. falciparum PNPs. The crystal structures of the TvPNP x ImmA x PO4 and TvPNP x DADMe-ImmA x PO4 ternary complexes differ from previous structures with substrate analogues. The tight binding with DADMe-ImmA is in part due to a 2.7 A ionic interaction between a PO4 oxygen and the N1' cation of the hydroxypyrrolidine and is weaker in the TvPNP x ImmA x PO4 structure at 3.5 A. However, the TvPNP x ImmA x PO4 structure includes hydrogen bonds between the 2'-hydroxyl and the protein that are not present in TvPNP x DADMe-ImmA x PO4. These structures explain why DADMe-ImmA binds tighter than ImmA. Immucillin-H is a 12 nM inhibitor of TvPNP but a 56 pM inhibitor of human PNP. And this difference is explained by isotope-edited difference infrared spectroscopy with [6-18O]ImmH to establish that O6 is the keto tautomer in TvPNP x ImmH x PO4, causing an unfavorable leaving-group interaction.
Abstract 19331: Quantification of Tethering Patterns in Secondary Mitral Regurgitation by 3D Echocardiography Mitral Valve Mapping (2016)

Background: Secondary mitral regurgitation (SMR) results from mitral valve (MV) tethering, typically quantified globally as total area or volume. However, MV tethering pattern is often heterogeneous. We aimed to develop and quantify regional MV tethering “maps” in patients with SMR using 3D transesophageal echocardiography (TEE). Methods: Thirty three patients with ≥moderate SMR and 19 controls underwent 3D TEE and analyses (Omni4D). MV annulus, leaflet area, coaptation line and tenting height (TH: distance between the annular plane and leaflets) were measured at mid-systole (fig A). Anterior (AL) and posterior (PL) mitral leaflets were divided into three equal segments (A1, A2, A3 and P1, P2, P3) to assess regional MV tethering patterns and leaflet area, and to identify the location of maximal TH (maxTH) (fig A). Results: Patients with SMR had significantly larger 3D leaflet area and tenting height for both leaflets, as well as for all individual segments of both leaflets (fig B). The leaflet area was 32...
Emotion characteristics of older adults with MCI among a socially isolated cohort using NIH toolbox: I‐CONECT Study (2021)

Abstract Background A diagnosis of Mild Cognitive Impairment (MCI) has been found to be associated with changes in emotional wellbeing and social relationships. Socially isolated older adults with MCI are at greater risk of developing Alzheimer's Disease and Related Dementias. Better understanding the emotional functioning of individuals with MCI could inform the development of behavioral health interventions. Within a socially isolated sample of older adults, this study compares psychosocial wellbeing of older adults with MCI to their cognitively normal counterparts. Methods This cross‐sectional study uses baseline data from the Internet‐based Conversational Engagement Clinical Trial (I‐CONECT, ClinicalTrials.gov: NCT02871921). Eligible participants were ages 75 or older and were socially isolated as defined by scoring &lt;12 on the 6‐item Lubben Social Network Scale, engaging in conversations lasting 30 minutes ≦ twice per week, or answering "Often" to at least one question of the three‐item UCLA Loneliness Scale. MCI status was determined according to clinical diagnosis. This working sample includes the first 127 participants whose baseline emotion battery scores were available as of November 2020. Based on NIH Toolbox scoring instructions, three domain scores were calculated with the 17 emotion measures, i.e., negative affect, social satisfaction, and psychological wellbeing. Linear regressions were conducted for all 17 Emotion Battery measures and 3 domain scores, controlling for age, gender, education, and severe depressive symptoms. Severe depressive symptom was operationalized as scored ≧5 on the 15‐item Geriatric Depression Scale (GDS). Results Participants' mean age was 81.1 (SD=4.6); 69.9% of the participants were female; and mean years of education was 15.2 (SD=2.3). 54% of the participants were diagnosed with MCI. The average GDS score was 2.3 (SD=1.8). For the three major emotion domains assessed, older adults with MCI had more negative affect, yet no difference was observed in social satisfaction and psychological wellbeing (see Table 2). More specifically, compared to cognitively normal older adults, individuals with MCI had higher levels of fear, perceived hostility, perceived stress, sadness, and lower self‐efficacy. Conclusion The study's findings indicate that older adults with MCI experience more negative emotions than cognitively normal older adults. However, there were no between‐group differences observed in positive emotions.
Cisplatin Combination Chemotherapy for Elderly Patients with Urothelial Tumours (1991)

The proportion of cancer patients who receive potentially curative therapy declines with increasing chronological age. Between January 1979 and January 1988, 36 patients aged from 76 to 84 years (median 78) consented to cisplatin combination chemotherapy. Eighteen patients received 1 to 7 cycles of adjuvant chemotherapy (median 5). This resulted in a drop in creatinine clearance rate from 70 +/- 28.5 ml/min to 49 +/- 20 ml/min. Eight patients (44%) are alive without evidence of disease, with a whole group median survival of 23 months. The dose intensity of cisplatin was found to predict recurrence. Eighteen other patients were treated for metastatic disease; 39% had an objective response after receiving 2 to 9 cycles (median 7). Only 2 patients (11%) are alive and free of disease. In this group no significant kidney damage occurred and the dose intensity of cisplatin did not predict response. Treatment resulted in a significant sepsis rate (39%) and 6 patients (17%) withdrew from treatment because of toxicity. It was concluded that cisplatin combination chemotherapy can be administered without treatment-related death and its efficacy is similar to that in younger patients. Age should not exclude patients from the potential benefit of such therapy. An important cause of reduced benefit from chemotherapy among elderly patients may be the reduced dosage of cisplatin.
ChemInform Abstract: Synthesis of Cephalosporin Derivatives Utilizing the Cephem Triflate. Part 1. Introduction of 3‐Position Substituents via a Cycloaddition‐ Fragmentation Route. (1997)

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.
Influence of molecular weight between crosslinks on the mechanical properties of polymers formed <i>via</i> ring-opening metathesis (2018)

The apparent molecular weight between crosslinks (Mc,a) in a polymer network plays a fundamental role in the network mechanical response. We systematically varied Mc,a independent of strong noncovalent bonding by using ring-opening metathesis polymerization (ROMP) to co-polymerize dicyclopentadiene (DCPD) with a chain extender that increases Mc,a or a di-functional crosslinker that decreases Mc,a. We compared the ROMP series quasi-static modulus (E), tensile yield stress (σy), and fracture toughness (KIC and GIC) in the glassy regime with literature data for more polar thermosets. ROMP resins showed high KIC (>1.5 MPa m0.5), high GIC (>1000 J m-2), and 4-5 times higher high rate impact resistance than typical polar thermosets with similar Tg values (100 °C to 178 °C). The overall E values were lower for ROMP systems. The σy dependence on Mc,a and T-Tg for ROMP resins was qualitatively similar to more polar thermosets, but the overall σy values were lower. In contrast to more polar thermosets, the KIC and GIC values of the ROMP resins showed strong Mc,a and T-Tg dependence. High rate impact (∼104-105 s-1) trends were similar to the KIC and GIC behavior, but were also correlated to σy. Overall, a ductile failure mode was observed for quasi-static and high rate results for a linear ROMP polymer (Mc,a = 1506 g mol-1 due to chain entanglement), and this gradually transitioned to a fully brittle failure mode for highly crosslinked ROMP polymers (Mc,a ≤ 270 g mol-1). Molecular dynamics (MD) simulations showed that low Mc,a ROMP resins were more likely to form molecular scale nanovoids. The higher chain stiffness in low Mc,a ROMP resins inhibited stress relaxation in the vicinity of these nanovoids, which correlated with brittle mechanical responses. Overall, these differences in mechanical properties were attributed to the weak non-covalent interactions in ROMP resins.
Research and Development Opportunities for Technologies to Influence Water Consumption Behavior (2016)

In April 2015, Argonne National Laboratory hosted a two-day workshop that convened water experts and stakeholders from across industry, government, and academia to undertake three primary tasks: 1) identify technology characteristics that are favorable for motivating behavioral change, 2) identify barriers that have prevented the development and market adoption of technologies with these characteristics in the water sector, and 3) identify concrete research and development pathways that could be undertaken to overcome these barriers, increase the penetration of technologies that influence water consumption behavior, and ultimately reduce domestic water consumption. While efforts to reduce water consumption have gained momentum in recent years, there are a number of key barriers that have limited the effectiveness of such efforts. Chief among these is the fact that many consumers have limited awareness of their water consumption patterns because of poor data availability, and/or are unmotivated to reduce their consumption because of low costs and split incentives. Without improved data availability and stronger price signals, it will be difficult to effect true transformative behavioral change. This report also reviews a number of technology characteristics that have successfully motivated behavioral change in other sectors, as well as several technologies that could be developed specifically for the water sector. Workshop participants discussed how technologies that provide active feedback and promote measurable goals and social accountability have successfully influenced changes in other types of behavior. A range of regulatory and policy actions that could be implemented to support such efforts are also presented. These include institutional aggregation, revenue decoupling, and price structure reforms. Finally, several R&D pathways were proposed, including efforts to identify optimal communication strategies and to better understand consumer perceptions and psychology as they relate to human behavior regarding water consumption. The findings presented here can help to inform policy makers as they develop new policies and seek to support new research to help consumers use water more efficiently. It is our hope that these findings will also be utilized to prioritize topics for additional follow-up workshops to address individual issues and barriers more directly and in more detail. The goal of such future workshops will be to develop specific solutions, research plans, and technology development pathways that can be undertaken to increase the market penetration of technologies that effect behavioral change and reduce water consumption.
Molecular cloning and characterization of an α-amylase cDNA highly expressed in major feeding stages of the coffee berry borer, Hypothenemus hampei (2014)

α-Amylases are common enzymes responsible for hydrolyzing starch. Insect-pests, whose larvae develop in seeds, rely obligatorily on α-amylase activity to digest starch, as their major food source. Considering the relevance of insect α-amylases and the natural α-amylase inhibitors present in seeds to protect from insect damage, we report here the molecular cloning and nucleotide sequence of the full-length AmyHha cDNA of the coffee berry borer, Hypothenemus hampei, a major insect-pest of coffee crops. The AmyHha sequence has 1879 bp, containing a 1458 bp open reading frame, which encodes a predicted protein with 485 amino acid residues, with a predicted molecular mass of 51.2 kDa. The deduced protein showed 55–79% identity to other insect α-amylases, including Anthonomus grandis, Ips typographus and Sitophilus oryzae α-amylases. In depth analysis revealed that the highly conserved three amino acid residues (Asp184, Glu220, and Asp285), which compose the catalytic site are also presented in AmyHha amylase. The AmyHha gene seems to be a single copy in the haploid genome and AmyHha transcription levels were found higher in L2 larvae and adult insects, both corresponding to major feeding phases. Modeling of the AmyHha predicted protein uncovered striking structural similarities to the Tenebrio molitor α-amylase also displaying the same amino acid residues involved in enzyme catalysis (Asp184, Glu220 and Asp285). Since AmyHha gene was mostly transcribed in the intestinal tract of H. hampei larvae, the cognate α-amylase could be considered a high valuable target to coffee bean insect control by biotechnological strategies.
Information-theoretic bounded rationality in perception-action systems (2016)

The ability to form abstractions and to generalize well from few samples are hallmarks of human and animal intelligence underlying the unrivaled flexibility of behavior in biological systems. Achieving such flexibility in artificial systems is challenging, particularly because the underlying computational principles are not fully understood. This talk introduces an information-theoretic framework for bounded rational decision-making, that is optimal decision-making under limited computational resources. One consequence of acting optimally under computational limitations is the emergence of natural abstractions which allow for more efficient processing of information. The consequent application of the theoretical framework to perception-action systems results in an interesting optimality principle that leads to a tight coupling between perception and action. As a result, the objective of bounded-optimal perception is not to represent a sensory state as faithfully as possible, but rather to extract the most relevant information for bounded-optimal acting.
Improving streamer data sampling and resolution via nonuniform optimal design and reconstruction (2017)

The cross-line sampling is usually poor for narrow-azimuth streamer data and shallow imaging is unavoidably affected by acquisition footprint. Guided by compressive sensing (CS), we developed a non-uniform optimal design principle which favors CS-based data reconstruction. Combining both techniques, we can achieve much denser sampling and higher unaliased bandwidth at the same acquisition cost. Compared with conventional survey design, the implementation of nonuniform design requires minimal changes to filed operations. A 3D towed streamer survey with non-uniform optimal design was conducted over a producing field in Asia Pacific. We use examples from this survey to illustrate the increased sampling and extended bandwidth after data reconstruction, and the resulting uplift to the final imaging quality. Presentation Date: Tuesday, September 26, 2017 Start Time: 1:50 PM Location: 360A Presentation Type: ORAL
Generation of insulin‐producing cells from human stem cells (207.3) (2014)

Recent advances in directing human embryonic stem cells (hESC) towards endodermal organs have identified conditions under which hESC differentiate into pancreatic progenitor cells in cell culture. Transplantation of these progenitor cells into immune compromised mice allows for the generation of insulin‐producing, ß‐like cells capable of restoring normoglycemia in diabetic mice. However, the generating of functional ß‐cells under cell culture conditions has proven difficult. Using a combination of 2D and 3D culture methods and optimized culture conditions we have generated single hormone‐positive, ß‐like cells that show signs of glucose responsive insulin secretion. Furthermore, I will discuss efforts related to identifying signals provided by the pancreatic mesenchyme that guide ß‐cell formation and can be used to optimize cell culture conditions.
&lt;p&gt;Noninvasive Molecular Imaging of the Enhanced Permeability and Retention Effect by &lt;sup&gt;64&lt;/sup&gt;Cu-Liposomes: In vivo Correlations with &lt;sup&gt;68&lt;/sup&gt;Ga-RGD, Fluid Pressure, Diffusivity and &lt;sup&gt;18&lt;/sup&gt;F-FDG&lt;/p&gt; (2020)

<sup>64</sup>Cu-liposome and <sup>68</sup>Ga-RGD SUV<sub>max</sub> displayed a significant moderate correlation, however, none of the other parameters evaluated displayed significant correlations. These results indicate that differences in neoangiogenesis may explain some EPR variability, however, as correlations were only moderate and not observed for SUV<sub>mean</sub>, <sup>68</sup>Ga-RGD is probably insufficient to serve as a stand-alone surrogate marker for quantifying the EPR effect and stratifying patients.
With a flick of the wrist (2012)

With WristFlicker, we detect wrist movement through sets of stretch sensors embedded in clothing. Our system supports wrist rotation (pronation/supination), and both wrist tilts (flexion/extension and ulnar/radial deviation). Each wrist movement is measured by two opposing stretch sensors, mimicking the counteracting movement of muscles. We discuss interaction techniques that allow a user to control a music player through this lightweight input.
A swimming robot actuated by living muscle tissue (2019)

Abstract Biomechatronics is the integration of biological components with artificial devices, in which the biological component confers a significant functional capability to the system, and the artificial component provides specific cellular and tissue interfaces that promote the maintenance and functional adaptation of the biological component. Based upon functional performance, muscle is potentially an excellent mechanical actuator, but the larger challenge of developing muscle-actuated, biomechatronic devices poses many scientific and engineering challenges. As a demonstratory proof of concept, we designed, built, and characterized a swimming robot actuated by two explanted frog semitendinosus muscles and controlled by an embedded microcontroller. Using open loop stimulation protocols, the robot performed basic swimming maneuvers such as starting, stopping, turning (turning radius ~400 mm) and straight-line swimming (max speed >1/3 body lengths/second). A broad spectrum antibiotic/antimycotic ringer solution surrounded the muscle actuators for long term maintenance, ex vivo. The robot swam for a total of 4 hours over a 42 hour lifespan (10% duty cycle) before its velocity degraded below 75% of its maximum. The development of functional biomechatronic prototypes with integrated musculoskeletal tissues is the first critical step toward the long term objective of controllable, adaptive and robust biomechatronic robots and prostheses.
SSX Cancer Testis Antigens are Expressed in Most Multiple Myeloma Patients (2005)

Cancer testis antigens (CTAs) are tumor-specific antigens that may be useful targets for cancer vaccines. Here, CTA expression was examined in multiple myeloma (MM), a B-cell cancer characterized by malignant plasma cells (PCs) in the bone marrow (BM), and monoclonal gammopathy of undetermined significance (MGUS), a condition that can progress to MM. We screened a panel of patient BMs at different stages of malignancy for CTA expression by reverse transcription polymerase chain reaction RT-PCR. Here, SSX (synovial sarcoma, X chromosome) emerged as a promising candidate for an MM vaccine, having a profile similar to currently studied CTA, NY-ESO-1, and MAGE. SSX1, 2, 4, and 5 expression was studied further in 114 MM (total SSX, 61% of patients; SSX1, 42%; SSX2, 23%; SSX4, 38%; SSX5, 35%), 45 MGUS (total SSX, 24% of patients; SSX1, 9%; SSX4, 20%), and 12 control (0/12, 0%) subjects. Several expression patterns were observed, the most predominant being co-expression of SSX1, 2, 4, and 5 (called group A expression, in 20% of MM), which correlated with reduced survival (P=0.0006). Of the four genes, SSX2 had the strongest association with reduced survival (P=0.0001). SSX protein expression ranged from 13.5% of PCs in an SSX1/SSX4 co-expressor to as high as 88% of PCs in group A expressor, exceeding reported frequencies of NY-ESO-1 and MAGE in MM. In single PCs from group A patients, we detected variable degrees of SSX co-expression, emphasizing the heterogeneity of CTA expression within tumor cell populations. These results demonstrate that SSX is a frequently expressed CTA in MM and highlight its potential as an MM vaccine candidate.
Synthesis and NMRD studies of gadolinium(3+) complexes of macrocyclic polyamino polycarboxylic ligands bearing .beta.-benzyloxy-.alpha.-propionic residues (1992)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthesis and NMRD studies of gadolinium(3+) complexes of macrocyclic polyamino polycarboxylic ligands bearing .beta.-benzyloxy-.alpha.-propionic residuesSilvio Aime, Mauro Botta, Giuseppe Ermondi, Franco Fedeli, and Fulvio UggeriCite this: Inorg. Chem. 1992, 31, 6, 1100–1103Publication Date (Print):March 1, 1992Publication History Published online1 May 2002Published inissue 1 March 1992https://pubs.acs.org/doi/10.1021/ic00032a035https://doi.org/10.1021/ic00032a035research-articleACS PublicationsRequest reuse permissionsArticle Views256Altmetric-Citations44LEARN 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