gebhart/patrepeval huggingface dataset:
Effect of fine mineral additions on granular packing of cement mixtures (2002)

This article concerns the influence of the physical characteristics of 18 fine mineral additions on water requirement, agglomeration and packing density of pastes. The main objective is to determine the principal parameters controlling their use in concrete mixtures. A standard Vicat test and, a new and simple test based on agglomeration of fine particles by capillary forces of a water drop, are used to determine the water requirement and the packing density. The influence of high-range water-reducing admixture is also studied. Results show that fine mineral additions unfavourably influence the water requirement and the packing density of cement mixtures in two cases. The first case concerns additions with irregular shaped particles, which lead to loose granular structures and very high water requirement. Both Vicat and ‘single drop’ tests could determine a critical threshold for water requirement. The second case concerns blended mixtures with a low cement content, where the cement–addition particles interaction phenomenon leads to increasing water requirement comparative to other proportioning. A high amount of high-range water-reducing admixtures could attenuate this interaction phenomenon only in water saturated mixtures.
Nicotinic pharmacophore: The pyridine N of nicotine and carbonyl of acetylcholine hydrogen bond across a subunit interface to a backbone NH (2010)

Pharmacophore models for nicotinic agonists have been proposed for four decades. Central to these models is the presence of a cationic nitrogen and a hydrogen bond acceptor. It is now well-established that the cationic center makes an important cation-pi interaction to a conserved tryptophan, but the donor to the proposed hydrogen bond acceptor has been more challenging to identify. A structure of nicotine bound to the acetylcholine binding protein predicted that the binding partner of the pharmacophore's second component was a water molecule, which also hydrogen bonds to the backbone of the complementary subunit of the receptors. Here we use unnatural amino acid mutagenesis coupled with agonist analogs to examine whether such a hydrogen bond is functionally significant in the alpha4beta2 neuronal nAChR, the receptor most associated with nicotine addiction. We find evidence for the hydrogen bond with the agonists nicotine, acetylcholine, carbamylcholine, and epibatidine. These data represent a completed nicotinic pharmacophore and offer insight into the design of new therapeutic agents that selectively target these receptors.
Glucose‐stimulated insulin release: Parallel perifusion studies of free and hydrogel encapsulated human pancreatic islets (2017)

To explore the effects immune-isolating encapsulation has on the insulin secretion of pancreatic islets and to improve our ability to quantitatively describe the glucose-stimulated insulin release (GSIR) of pancreatic islets, we conducted dynamic perifusion experiments with isolated human islets. Free (unencapsulated) and hydrogel encapsulated islets were perifused, in parallel, using an automated multi-channel system that allows sample collection with high temporal resolution. Results indicated that free human islets secrete less insulin per unit mass or islet equivalent (IEQ) than murine islets and with a less pronounced first-phase peak. While small microcapsules (d = 700 µm) caused only a slightly delayed and blunted first-phase insulin response compared to unencapsulated islets, larger capsules (d = 1,800 µm) completely blunted the first-phase peak and decreased the total amount of insulin released. Experimentally obtained insulin time-profiles were fitted with our complex insulin secretion computational model. This allowed further fine-tuning of the hormone-release parameters of this model, which was implemented in COMSOL Multiphysics to couple hormone secretion and nutrient consumption kinetics with diffusive and convective transport. The results of these GSIR experiments, which were also supported by computational modeling, indicate that larger capsules unavoidably lead to dampening of the first-phase insulin response and to a sustained-release type insulin secretion that can only slowly respond to changes in glucose concentration. Bioartificial pancreas type devices can provide long-term and physiologically desirable solutions only if immunoisolation and biocompatibility considerations are integrated with optimized nutrient diffusion and insulin release characteristics by design.
The Outstanding Biological Stability of - and -Peptides toward Proteolytic Enzymes: An In Vitro Investigation with Fifteen Peptidases (2001)

A series of 36 linear and cyclic beta- and gamma-peptides consisting of as few as two, and as many as 15 residues, was offered as substrates to 15 commercially available proteases of bacterial, fungal, and eukaryotic origin, including a beta-lactamase and amidases, as well as most vigorous, nonspecific proteases, such as the 20S proteasome from human erythrocytes. For comparison, an alpha-eicosapeptide and standard substrates of the proteolytic enzymes were included in the investigation. Under conditions of complete cleavage of the alpha-peptide within 15 min the beta- and gamma-peptides were stable for at least 48 h. Inhibition studies with seven beta- and gamma-peptides and alpha-chymotrypsin show that the residual enzyme activity toward succinyl-Ala-Ala-Pro-Phe-p-nitroanilide is unchanged within experimental error after incubation for 15 min with the peptide analogues. Thus, beta- and gamma-peptides with proteinogenic side chains, that is, consisting of the singly or doubly homologated natural alpha-amino acids (one or two CH(2) groups inserted in the backbone of each residue), are completely stable to common proteases, without inhibiting their normal activity (as demonstrated for alpha-chymotrypsin). This proteolytic stability of peptides built of homologated amino acids is a prerequisite for their potential use as drugs.
Oxygen atom density and thermal energy control in an electric-oxygen iodine laser (2014)

Experiments<sup>[1]</sup> with Electric Oxygen-Iodine Laser (ElectricOIL) heat exchanger technology have demonstrated improved control of oxygen atom density and thermal energy, with minimal quenching of O<sub>2</sub>(a<sup>1</sup>&Delta;), and increasing small signal gain from 0.26% cm<sup>-1</sup> to 0.30% cm<sup>-1</sup>. Heat exchanger technological improvements were achieved through both experimental and modeling studies, including estimation of O<sub>2</sub>(a<sup>1</sup>&Delta;) surface quenching coefficients for select ElectricOIL materials downstream of a radio-frequency discharge-driven singlet oxygen generator. Estimation of O<sub>2</sub>(a<sup>1</sup>&Delta;) quenching coefficients is differentiated from previous studies by inclusion of oxygen atoms, historically scrubbed using HgO<sup>[2-4]</sup> or AgO<sup>[5]</sup>. High-fidelity, time-dependent and steady-state simulations are presented using the new BLAZE-VI multi-physics simulation suite<sup>[6]</sup> and compared to data.
Benzophenone- and Indolecarboxylic Acids: Potent Type-2 Specific Inhibitors of Human Steroid 5.alpha.-Reductase (1995)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTBenzophenone- and Indolecarboxylic Acids: Potent Type-2 Specific Inhibitors of Human Steroid 5.alpha.-ReductaseDennis A. Holt, Dennis S. Yamashita, Arda L. Konialian-Beck, Juan I. Luengo, Andrew D. Abell, Derk J. Bergsma, Martin Brandt, and Mark A. LevyCite this: J. Med. Chem. 1995, 38, 1, 13–15Publication Date (Print):January 1, 1995Publication History Published online1 May 2002Published inissue 1 January 1995https://pubs.acs.org/doi/10.1021/jm00001a004https://doi.org/10.1021/jm00001a004research-articleACS PublicationsRequest reuse permissionsArticle Views337Altmetric-Citations31LEARN 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 (3)»Supporting Information Supporting Information Get e-Alerts
Cooperative Domain Formation by Homologous Motifs in HOIL-1L and SHARPIN Plays A Crucial Role in LUBAC Stabilization (2018)

The linear ubiquitin chain assembly complex (LUBAC) participates in inflammatory and oncogenic signaling by conjugating linear ubiquitin chains to target proteins. LUBAC consists of the catalytic HOIP subunit and two accessory subunits, HOIL-1L and SHARPIN. Interactions between the ubiquitin-associated (UBA) domains of HOIP and the ubiquitin-like (UBL) domains of two accessory subunits are involved in LUBAC stabilization, but the precise molecular mechanisms underlying the formation of stable trimeric LUBAC remain elusive. We solved the co-crystal structure of the binding regions of the trimeric LUBAC complex and found that LUBAC-tethering motifs (LTMs) located N terminally to the UBL domains of HOIL-1L and SHARPIN heterodimerize and fold into a single globular domain. This interaction is resistant to dissociation and plays a critical role in stabilizing trimeric LUBAC. Inhibition of LTM-mediated HOIL-1L/SHARPIN dimerization profoundly attenuated the function of LUBAC, suggesting LTM as a superior target of LUBAC destabilization for anticancer therapeutics.
Rosmarinic acid, a catechol‐containing natural product, potently inhibits amylin amyloidosis (2017)

Epidemiological studies show significant association between obesity related type 2 diabetes (T2D) and risk for cerebrovascular disease and dementia (including Alzheimer's disease, AD). Amylin is a peptide hormone whose high propensity to form amyloid in the pancreas contributes to TD2 pathology. Recently, heterologous amyloid composed of amylin and amyloid beta (the causative agent and amyloid forming species in AD) has also been found in the brain tissue of individuals with AD and T2D but not age matched healthy controls. Collectively these data suggest that amylin aggregation may represent a molecular link between AD and TD2. From a targeted screening of a collection of natural compounds used in complementary medicine, we identified that rosmarinic acid (RA) is a highly potent inhibitor against amylin amyloid formation (apparent IC50 estimated at 200 nM). Further characterization indicates that RA and its metabolites caffeic acid (CA) and salvianic acid A (SAA), exert additive anti-amylin aggregation and cell rescue effects against amylin-induced neurotoxicity. Using a less hydrolyzable RA analogue (RALH), we show that these additive effects are similar between an intact RA molecule and equimolar amounts of its hydrolyzed metabolites CA and SAA. These observations are congruent with other data that suggests the catechol moieties present in RA, RALH, CA and SAA may play an essential role in their observed anti-amylin aggregation activity. Our data also suggests that strong non-covalent interactions and or site-specific binding between RA and the amine groups in amylin, may prevent amyloid aggregation and stabilize a population of “off-pathway” non-toxic oligomers. The later has recently been shown with previously characterized anti-amyloid inhibitor epigallocatechin gallate (EGCG) which is currently in clinical trials as an anti amyloid agent for AD. Support or Funding Information This work is in part supported by Virginia Tech new faculty start-up funds, the National Institute of Food and Agriculture of USDA, Commonwealth Health Research Board, Alzheimer's and Related Diseases Research Award Fund from Virginia Center on Aging, Diabetes Action Research and Education Foundation, and Virginia Tech Center for Drug Discovery. A working model for RA mediated anti-amylin amyloid formation and cell rescue activity against amylin-induced cytotoxicity. A working model for RA mediated anti-amylin amyloid formation and cell rescue activity against amylin-induced cytotoxicity.
New Tools for Embryo Selection: Comprehensive Chromosome Screening by Array Comparative Genomic Hybridization (2014)

The objective of this study was to evaluate the usefulness of comprehensive chromosome screening (CCS) using array comparative genomic hybridization (aCGH). The study included 1420 CCS cycles for recurrent miscarriage (n = 203); repetitive implantation failure (n = 188); severe male factor (n = 116); previous trisomic pregnancy (n = 33); and advanced maternal age (n = 880). CCS was performed in cycles with fresh oocytes and embryos (n = 774); mixed cycles with fresh and vitrified oocytes (n = 320); mixed cycles with fresh and vitrified day-2 embryos (n = 235); and mixed cycles with fresh and vitrified day-3 embryos (n = 91). Day-3 embryo biopsy was performed and analyzed by aCGH followed by day-5 embryo transfer. Consistent implantation (range: 40.5-54.2%) and pregnancy rates per transfer (range: 46.0-62.9%) were obtained for all the indications and independently of the origin of the oocytes or embryos. However, a lower delivery rate per cycle was achieved in women aged over 40 years (18.1%) due to the higher percentage of aneuploid embryos (85.3%) and lower number of cycles with at least one euploid embryo available per transfer (40.3%). We concluded that aneuploidy is one of the major factors which affect embryo implantation.
Solid state electrolyte composites based on complex hydrides and metal doped fullerenes/fulleranes for batteries and electrochemical applications (2023)

A LiBH4—C<sub>60</sub> nanocomposite that displays fast lithium ionic conduction in the solid state is provided. The material is a homogenous nanocomposite that contains both LiBH<sub>4</sub> and a hydrogenated fullerene species. In the presence of C<sub>60</sub>, the lithium ion mobility of LiBH<sub>4</sub> is significantly enhanced in the as prepared state when compared to pure LiBH<sub>4</sub>. After the material is annealed the lithium ion mobility is further enhanced. Constant current cycling demonstrated that the material is stable in the presence of metallic lithium electrodes. The material can serve as a solid state electrolyte in a solid-state lithium ion battery.
In vitro activity of anti-malarial ozonides against an artemisinin-resistant isolate (2017)

The absence of in vitro cross-resistance against the artemisinin-resistant clinical isolate Cam3.I<sup>R539T</sup> suggests that ozonides could be effective against artemisinin-resistant P. falciparum. How this will translate to the human situation in clinical settings remains to be investigated.
A multi-parameter approach to measurement of spontaneous myogenic contractions in human stomach: Utilization to assess potential modulators of myogenic contractions (2022)

Electrical slow waves, generated by interstitial cells of Cajal (ICC), cause spontaneous contractions of human stomach. Software was developed to measure muscle tone and eleven different parameters defining these contractions in human stomach, displaying data as radar plots. A pilot study assessed the effects of potential modulators, selected from among compounds known to influence ICC activity; n = 4-7 each concentration tested/compound. Human distal stomach (corpus-antrum) muscle strips were suspended in tissue baths for measuring myogenic (non-neuronal) contractions in the presence of tetrodotoxin (10<sup>-6</sup> M). Initial characterization: Contractions (amplitude 4 ± 0.4mN, frequency 3 ± 0.1 min<sup>-1</sup>, n = 49) were unchanged by ꭃ-conotoxin GVIA (10<sup>-7</sup> M) or indomethacin (10<sup>-6</sup> M) but abolished by nifedipine (10<sup>-4</sup> M). Carbachol (10<sup>-7</sup> M) increased contraction rate and amplitude; 10<sup>-6</sup>-10<sup>-5</sup> M increased tone and caused large, irregular contractions. [Ca<sup>2+</sup>]<sub>i</sub>modulators: Ryanodine (10<sup>-5</sup>-10<sup>-4</sup> M) increased muscle tone accompanied by inhibition of myogenic contractions. Xestospongin-C (10<sup>-6</sup> M; IP<sub>3</sub> channel inhibitor) had no effects. SERCA pump inhibitors, 2-APB and cycloplazonic acid (10<sup>-5</sup>-10<sup>-4</sup> M) increased tone and myogenic contraction amplitude before abolishing contractions; thapsigargin was weakly active. CaCC blockers: MONNA and CaCCinh-A01 had little-or-no effects on tone but reduced myogenic contractions; MONNA (10<sup>-4</sup> M) was more effective, reducing amplitude (77.8 ± 15.2%) and frequency. Ca<sub>V</sub>3.1/3.2/3.3 channel block: Mibefradil reduced tone and myogenic contraction amplitude (pIC<sub>50</sub> 4.8 ± 0.9). Inward-rectifying K<sup>+</sup>-channel inhibitor: E-4031 (10<sup>-4</sup> M) increased contraction duration (17.4 ± 5.8%). Conclusions: (1) Measurement of multiple parameters of myogenic contractions identified subtle differences between compounds, (2) only E-4031 and CaCC blockers influenced myogenic contractions, not muscle tone, (3) studies are needed with compounds with known and/or improved selectivity/potency for human targets affecting ICC functions.
Ultra‐high‐frequency deep brain stimulation at 10,000 Hz improves motor function (2018)

sponsorship: Canada Research Chair in Neuroscience (to A.M.-L.), Catherine Manson Chair in Movement Disorders (to R.C.). (Canada Research Chair in Neuroscience, Catherine Manson Chair in Movement Disorders)
Sodium Chloride Aggravates Arthritis via Th17 Polarization (2018)

This study suggests that NaCl can aggravate arthritis by affecting Th17 differentiation. Accordingly, limiting salt intake may be helpful for treating inflammatory arthritis, such as RA.
Label-Free Chemiresistive Immunosensors for Viruses (2010)

We report development, characterization, and testing of chemiresistive immunosensors based on single polypyrrole (Ppy) nanowire for highly sensitive, specific, label free, and direct detection of viruses. Bacteriophages T7 and MS2 were used as safe models for viruses for demonstration. Ppy nanowires were electrochemically polymerized into alumina template, and single nanowire based devices were assembled on a pair of gold electrodes by ac dielectrophoretic alignment and anchored using maskless electrodeposition. Anti-T7 or anti-MS2 antibodies were immobilized on single Ppy nanowire using EDC-NHS chemistry to fabricate nanobiosensor for the detection of corresponding bacteriophage. The biosensors showed excellent sensitivity with a lower detection limit of 10(-3) plaque forming unit (PFU) in 10 mM phosphate buffer, wide dynamic range and excellent selectivity. The immunosensors were successfully applied for the detection of phages in spiked untreated urban runoff water samples. The results show the potential of these sensors in health care, environmental monitoring, food safety and homeland security for sensitive, specific, rapid, and affordable detection of bioagents/pathogens.
Symptomatic Glenoid Loosening Complicating Total Shoulder Arthroplasty (2010)

Glenoid component loosening is one of the most common causes of failed total shoulder arthroplasty. Previous reports indicate that it is desirable to reimplant the glenoid component during revision shoulder arthroplasty. The purpose of our study was to retrospectively evaluate the satisfaction of patients undergoing glenoid revision (reimplantation or resection) following total shoulder replacement specifically for symptomatic glenoid loosening. Twenty-eight shoulders that developed symptomatic glenoid loosening following primary total shoulder arthroplasty were included in the study. Patients were retrospectively evaluated at a minimum of 2 years postoperatively. Patients either underwent resection followed by reimplantation of the glenoid component (13) or resection of the component with or without bone grafting (15). Each patient was evaluated with the UCLA Shoulder Scale and the Constant-Murley Shoulder Assessment. There were seven excellent, 13 good, five fair and three poor results on the UCLA score. Functional outcome scores trended higher in the reimplantation group but were not statistically significant. Both groups reported equal pain relief and satisfaction. Five out of 15 patients underwent arthroscopic resection of the glenoid, and these patients scored as well on the UCLA and Constant scores as the reimplantation group. When symptomatic glenoid loosening is the indication for revision total shoulder replacement, patients tend to achieve good to excellent results. Though functional scores were slightly higher in the reimplantation group, satisfaction was equally high in both groups. Resection, when indicated, should be performed arthroscopically as this improved functional outcome in our series.
Detection of Analgesics and Sedation Drugs in Whiskey Using Electrochemical Paper‐based Analytical Devices (2018)

Abstract The adulteration of whiskey with analgesics and sedation drugs has been a common practice to prevent hangover the following day and promote loss of consciousness. In both situations, the portable and low cost detection platforms are of paramount importance for forensic investigations. This report describes the use of electrochemical paper‐based analytical devices (ePADs) fabricated by pencil drawing for detecting metamizole, paracetamol and midazolam maleate in whiskey. Different types of paper substrates and graphite pencils were initially characterized with ferrocyanide. The best results were achieved using vegetal paper and Aquarelle/6B pencils. ePADs revealed a decrease in current signal indicating a short lifetime, thus limiting their use to disposable sensors. Despite the short lifetime, the graphite pencil ePADs revealed good electrochemical reproducibility (RSD=3.3 %). The forensic feasibility of the proposed ePADs was demonstrated through the analysis of metamizole and paracetamol in whiskey. The limit of detection (LOD) achieved for paracetamol and metamizole were 45 and 20 mg L −1 , respectively. ePADs were also tested to detect midazolam maleate in whiskey. The signal recorded exhibited linear correlation in a wide concentration range (25–1000 mg L −1 ) and a LOD of ca. 5 mg L −1 . Considering the disposability and operational simplicity, ePADs offer a good strategy for detecting adulterations in alcoholic beverages at the point‐of‐need.
Evaluation of fatty acids, phenolics and bioactivities of spent coffee grounds prepared from Vietnamese coffee (2021)

Spent coffee ground (SCG) is a residue released during coffee brewing. Disposal of SCG is able to lead to a loss of bioactive constituents and have a negative impact upon the environment. This study aimed to explore fatty acids, bioactive phenolics, antioxidant and anti-aging potentials of SCG samples obtained from coffee shops in Ho Chi Minh city, Vietnam. The oil content of the SCG samples ranged from 6.3 to 10.5%, and linoleic (43%), palmitic (33.4%) and oleic (11%) acids were identified as major constituents of the oil. Chlorogenic acid was the most abundant phenolic acid examined (832.9–7657.7 μg/g of dry weight), followed by ferulic acid (40.5–1041.7 μg/g). Through anti-collagenase and anti-elastase assays, SCG showed a promising anti-aging activity, with IC50 values comparable with those of epigallocatechin gallate. The correlation analysis revealed gallic acid positively correlated with the free radical scavenging potential evaluated by DPPH (2,2-diphenyl-1-picrylhydrazyl) assay and the inhibitory effect on elastase. The results demonstrated that utilization of SCG prepared from Vietnamese coffee could open new avenues for food and cosmeceutical industry.