gebhart/patrepeval huggingface dataset:
Weyl Semimetals as Hydrogen Evolution Catalysts (2017)

The search for highly efficient and low-cost catalysts is one of the main driving forces in catalytic chemistry. Current strategies for the catalyst design focus on increasing the number and activity of local catalytic sites, such as the edge sites of molybdenum disulfides in the hydrogen evolution reaction (HER). Here, the study proposes and demonstrates a different principle that goes beyond local site optimization by utilizing topological electronic states to spur catalytic activity. For HER, excellent catalysts have been found among the transition-metal monopnictides-NbP, TaP, NbAs, and TaAs-which are recently discovered to be topological Weyl semimetals. Here the study shows that the combination of robust topological surface states and large room temperature carrier mobility, both of which originate from bulk Dirac bands of the Weyl semimetal, is a recipe for high activity HER catalysts. This approach has the potential to go beyond graphene based composite photocatalysts where graphene simply provides a high mobility medium without any active catalytic sites that have been found in these topological materials. Thus, the work provides a guiding principle for the discovery of novel catalysts from the emerging field of topological materials.
Toward unified guidelines for kiosk accessibility (2019)

We have had the honor of serving the SIGCHI community as columnists and editors since the fifth issue of Interactions back in 1995. It has truly been a privilege to find and work with authors to help them find their voices. We hope that the Business column (1995--2011) and the Evaluation and Usability/UX in Practice forum (2011--present) have been useful to you, the readers. We wish the leadership of Interactions and of ACM SIGCHI all the best. --- Susan Dray and David Siegel, Editors
Feasibility of rapid discharge after transoral robotic surgery of the oropharynx (2014)

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Global advances in weed management (2010)

SUMMARY Weeds have been controlled so successfully by herbicides, subsequently supplemented by transgenic herbicide-resistant crops, that past intractable problems have been ignored and new ones are evolving. However, industry-led discovery of new herbicide targets is now lacking and weed science as a discipline is contracting globally. This paper describes novel technologies for dealing with major problems, including: better understanding of weed biology coupled with genomics; novel herbicide-resistant crops as well as engineered weed-competing crops; multi-target herbicides; and enhanced biocontrol agents. Together, these approaches may comprise the components of future integrated packages to slow down the evolution of new weed problems.
Benefits of Using an Appropriately Formulated Wipe to Clean Diapered Skin of Preterm Infants (2019)

The skin of premature infants is underdeveloped rendering it more prone to break down and irritation. Therefore, special care is needed to protect premature skin and ensure it is not adversely affected. Many health care professionals advise using just water and cloth to clean diapered skin after a bowel movement despite evidence that shows improved infant skin health with the use of modern appropriately formulated baby wipes. This article describes the unique physiology of premature infant skin, reviews clinical evidence comparing use of baby wipes to water and cloth, and describes attributes of appropriately formulated baby wipes.
Rational Design of Phosphoinositide 3-Kinase α Inhibitors That Exhibit Selectivity over the Phosphoinositide 3-Kinase β Isoform (2011)

Of the four class I phosphoinositide 3-kinase (PI3K) isoforms, PI3Kα has justly received the most attention for its potential in cancer therapy. Herein we report our successful approaches to achieve PI3Kα vs PI3Kβ selectivity for two chemical series. In the thienopyrimidine series of inhibitors, we propose that select ligands achieve selectivity derived from a hydrogen bonding interaction with Arg770 of PI3Kα that is not attained with the corresponding Lys777 of PI3Kβ. In the benzoxepin series of inhibitors, the selectivity observed can be rationalized by the difference in electrostatic potential between the two isoforms in a given region rather than any specific interaction.
An impact-aware defense against Stuxnet (2013)

The Stuxnet worm is a sophisticated malware designed to sabotage industrial control systems (ICSs). It exploits vulnerabilities in removable drives, local area communication networks, and programmable logic controllers (PLCs) to penetrate the process control network (PCN) and the control system network (CSN). Stuxnet was successful in penetrating the control system network and sabotaging industrial control processes since the targeted control systems lacked security mechanisms for verifying message integrity and source authentication. In this work, we propose a novel proactive defense system framework, in which commands from the system operator to the PLC are authenticated using a randomized set of cryptographic keys. The framework leverages cryptographic analysis and control-and game-theoretic methods to quantify the impact of malicious commands on the performance of the physical plant. We derive the worst-case optimal randomization strategy as a saddle-point equilibrium of a game between an adversary attempting to insert commands and the system operator, and show that the proposed scheme can achieve arbitrarily low adversary success probability for a sufficiently large number of keys. We evaluate our proposed scheme, using a linear-quadratic regulator (LQR) as a case study, through theoretical and numerical analysis.
Broadband Dipolar Recoupling for Magnetization Transfer in Solid‐State NMR Correlation Spectroscopy (2008)

Efficient recoupling: A new experimental procedure using a broadband variant of rotary resonance recoupling (B2R3, see figure) improves 13C–13C transfer of magnetization in biological molecules. The robustness of the method, combined with its simplicity, results in improved structural analysis of crystalline and non-crystalline systems.
Saggital And Frontal Plane Knee Angles Between Pre-adolescencent Sexes Are Not Different During Jump-landing. (2018)

Adolescent and post-adolescent females experience injury to the anterior cruciate ligament (ACL) more frequently than do their male counterparts in similar sports. It has been observed that females tend to land with less knee flexion and greater knee valgus angles than their male peers. These landing patterns are associated to the non-contact ACL injury mechanism. PURPOSE: The purpose of this study is to examine the knee kinematic landing patterns in youth in the frontal and sagittal planes to determine whether these same kinematic differences exist between pre-adolescent males and female. METHODS: Thirty-two subjects (16 females and 16 males; aged 6 to 10 yrs) volunteered for participation in the study. They were asked to perform maximal jump and landing motions while being recorded for biomechanical analysis utilizing a 10-camera infrared system (200 Hz; all XYZ coordinates filtered at 20 Hz) and an imbedded force plate (1,000 Hz; filtered at 20 HZ). Values for knee flexion and valgus angles at touchdown and at maximal flexion were extracted from the data and compared between genders with an unpaired t-test: alpha ≤ 0 .05. RESULTS: Valgus angle at initial contact displayed no difference (males: -4.81±7.83°; females: -3.01±8.99°; p=0.40). It was found that knee flexion at initial contact was different (males: 16.1±10.5°; females: 20.7±8.10°; p=0.05). No differences were observed in valgus ROM (males: 2.75±17.3°; females: 6.68±14.2°; p=0.32) nor knee flexion ROM (males: 37.1±19.0°; females: 40.2±10.7°; p=0.42). CONCLUSIONS: These results suggest that the knee kinematic profiles for non-contact ACL injury are not present in pre-adolescent subjects and may develop during maturation.
Distance-Based Location Management Utilizing Initial Position for Mobile Communication Networks (2015)

This paper aims at improving the distance-based location management scheme for mobile communication networks. In location management, a mobile terminal (MT) is tracked based on its location-update area (LA). The improvement is brought about by joint optimization of LA center and LA size. For LA center optimization (LCO), we determine the optimal center position of the LA given the initial position of the MT upon each location update. The investigation of optimal LA center has eluded research to date. Based on the popular continuous-time random walk (CTRW) mobility model, we propose an analytical framework that uses a diffusion equation to determine the optimal LA center that minimizes the total cost of location management, consisting of the location update cost and terminal paging cost. This framework allows us to easily model the non-Markovian movement of the MT and evaluate the impact of various measurable physical parameters (such as length of road section, angle between road sections, and road section crossing time) and LA center. In particular, we show that proper LA center can significantly reduce the total cost. For example, for the circular LA and low Poisson call-arrival rate, optimizing the LA center alone has the potential of reducing the cost by up to 37 percent. Joint optimization of the LA center and terminal paging scheme can reduce the cost even further. Simulations results match the theoretical analysis to a gap within 3 percent, indicating that our theoretical model is very accurate.
Neuromuscular Adaptations in Gluteus Medius Activity Following Resurfacing and Total Hip Arthroplasty. (2011)

In middle-aged patients, the choice between resurfacing and total hip arthroplasty may be difficult given recent studies showing differences in functional outcomes. Success of clinical outcomes, defined by a greater range of motion and reduced pain following surgery, are dependent on a return in function of incised muscle groups. To identify neuromuscular recovery following hip arthroplasty, hip abductor activity was assessed throughout the first year of recovery. Analysis focused on characterization of the temporal activity of the gluteus medius during activities of daily living. Adaptation in muscle firing and biomechanical outcomes was revealed in both groups, though more pronounced in the THA cohort with increasingly difficult activities. Differences between groups should be considered by clinicians when considering the best treatment options for their patients.
Characterization of N‐palmitoylated human growth hormone by in situ liquid–liquid extraction and MALDI tandem mass spectrometry (2007)

Acylation is a common post-translational modification found in secreted proteins and membrane-associated proteins, including signal transducing and regulatory proteins. Acylation is also explored in the pharmaceutical and biotechnology industry to increase the stability and lifetime of protein-based products. The presence of acyl moieties in proteins and peptides affects the physico-chemical properties of these species, thereby modulating protein stability, function, localization and molecular interactions. Characterization of protein acylation is a challenging analytical task, which includes the precise definition of the acylation sites in proteins and determination of the identity and molecular heterogeneity of the acyl moiety at each individual site. In this study, we generated a chemically modified human growth hormone (hGH) by incorporation of a palmitoyl moiety on the N(epsilon) group of a lysine residue. Monoacylation of the hGH protein was confirmed by determination of the intact molecular weight by mass spectrometry. Detailed analysis of protein acylation was achieved by analysis of peptides derived from hGH by protease treatment. However, peptide mass mapping by MALDI MS using trypsin and AspN proteases and standard sample preparation methods did not reveal any palmitoylated peptides. In contrast, in situ liquid-liquid extraction (LLE) performed directly on the MALDI MS metal target enabled detection of acylated peptide candidates by MALDI MS and demonstrated that hGH was N-palmitoylated at multiple lysine residues. MALDI MS and MS/MS analysis of the modified peptides mapped the N-palmitoylation sites to Lys158, Lys172 and Lys140 or Lys145. This study demonstrates the utility of LLE/MALDI MS/MS for mapping and characterization of acylation sites in proteins and peptides and the importance of optimizing sample preparation methods for mass spectrometry-based determination of substoichiometric, multi-site protein modifications.
Enhanced Brain Delivery of 2-(Phosphonomethyl)pentanedioic Acid Following Intranasal Administration of Its γ-Substituted Ester Prodrugs (2017)

2-(Phosphonomethyl)pentanedioic acid (2-PMPA) is a potent and selective inhibitor of glutamate carboxypeptidase-II (GCPII) with efficacy in multiple neurological and psychiatric disease models, but its clinical utility is hampered by low brain penetration due to the inclusion of multiple acidic functionalities. We recently reported an improvement in the brain-to-plasma ratio of 2-PMPA after intranasal (IN) dosing in both rodents and primates. Herein, we describe the synthesis of several 2-PMPA prodrugs with further improved brain delivery of 2-PMPA after IN administration by masking of the γ-carboxylate. When compared to IN 2-PMPA in rats at 1 h post dose, γ-(4-acetoxybenzyl)-2-PMPA (compound 1) resulted in significantly higher 2-PMPA delivery to both plasma (4.1-fold) and brain (11-fold). Subsequent time-dependent evaluation of 1 also showed high brain as well as plasma 2-PMPA exposures with brain-to-plasma ratios of 2.2, 0.48, and 0.26 for olfactory bulb, cortex, and cerebellum, respectively, as well as an improved sciatic nerve to plasma ratio of 0.84. In contrast, IV administration of compound 1 resulted in similar plasma exposure of 2-PMPA versus the IN route (AUC<sub>IV</sub>: 76 ± 9 h·nmol/mL versus AUC<sub>IN</sub>: 99 ± 24 h·nmol/mL); but significantly lower nerve and brain tissue exposures with tissue-to-plasma ratios of 0.21, 0.03, 0.04, and 0.04 in nerve, olfactory bulb, cortex, and cerebellum, respectively. In primates, IN administration of 1 more than doubled 2-PMPA concentrations in the cerebrospinal fluid relative to previously reported levels following IN 2-PMPA. The results of these experiments provide a promising strategy for testing GCPII inhibition in neurological and psychiatric disorders.
Prediction of Spectrum Fatigue Crack Growth in Latest Generation High Damage Tolerance Alloys (2004)

An attempt was made to predict the variable amplitude fatigue crack growth performance of aluminium alloys using existing simulation software. The experimental basis for validation consisted of variable amplitude tests for a large transport wing spectrum for 2024-T351 and the latest generation of high damage tolerance alloys 2024A-T351, 2027-T351 and IS237T851. For 2024-T351 and 2024A-T351, there was also data from a business jet spectrum test. A first simulation approach was to fit the retardation models to the behaviour of 2024, then verify the predictive capabilities for the other alloys using the same spectrum. Results were quite satisfactory with two exceptions. The models that performed the best in this exercise were the Boeing/Northrop Constant Closure model (NASGRO) and the closure model from AFGROW. In general, it can be concluded that a first assessment of the performance of new high damage tolerance alloys can be made on the basis of parameter fits done for 2024 – for a given spectrum. Subsequently, the spectrum and test specimens were changed, and the parameters of the retardation models adapted according to the authors’ current best judgment. Again it proved impossible to predict crack lives for 2024A. For 2024, the model that came closest was the Generalised Willenborg model as implemented in NASGRO. However, this result must be seen against the background of unexpected no-retardation predictions from NASGRO on the new spectrum & specimens. In general, it must be concluded that until understanding of both the underlying phenomena and the ways of modelling and simulating these is improved, a change of spectrum necessitates re-fitting of many model parameters.
An End-to-End Cardiac Arrhythmia Recognition Method with an Effective DenseNet Model on Imbalanced Datasets Using ECG Signal (2022)

Electrocardiography (ECG) is a well-known noninvasive technique in medical science that provides information about the heart's rhythm and current conditions. Automatic ECG arrhythmia diagnosis relieves doctors' workload and improves diagnosis effectiveness and efficiency. This study proposes an automatic end-to-end 2D CNN (two-dimensional convolution neural networks) deep learning method with an effective DenseNet model for addressing arrhythmias recognition. To begin, the proposed model is trained and evaluated on the 97720 and 141404 beat images extracted from the Massachusetts Institute of Technology-Beth Israel Hospital (MIT-BIH) arrhythmia and St. Petersburg Institute of Cardiological Technics (INCART) datasets (both are imbalanced class datasets) using a stratified 5-fold evaluation strategy. The data is classified into four groups: N (normal), V (ventricular ectopic), S (supraventricular ectopic), and F (fusion), based on the Association for the Advancement of Medical Instrumentation® (AAMI). The experimental results show that the proposed model outperforms state-of-the-art models for recognizing arrhythmias, with the accuracy of 99.80% and 99.63%, precision of 98.34% and 98.94%, and <i>F</i> <sub>1-score</sub> of 98.91% and 98.91% on the MIT-BIH arrhythmia and INCART datasets, respectively. Using a transfer learning mechanism, the proposed model is also evaluated with only five individuals of supraventricular MIT-BIH arrhythmia and five individuals of European ST-T datasets (both of which are also class imbalanced) and achieved satisfactory results. So, the proposed model is more generalized and could be a prosperous solution for arrhythmias recognition from class imbalance datasets in real-life applications.
Methods of in vivo radiation measurement (2023)

Methods of and apparatus for in vivo radiation measurements relay on a MOSFET dosimeter of high radiation sensitivity with operates in both the passive mode to provide an integrated dose detector and active mode to provide an irradiation rate detector. A compensating circuit with a matched unirradiated MOSFET is provided to operate at a current designed to eliminate temperature dependence of the device. Preferably, the MOSFET is rigidly mounted in the end of a miniature catheter and the catheter is implanted in the patient proximate the radiation source.
Effect of Diphlorethohydroxycarmalol Isolated From Ishige okamurae on Apoptosis in 3 t3‐L1 Preadipocytes (2012)

Obesity is an important issue in the world of public health and preventive medicine. Inhibition of proliferation of preadipocytes plays an important role in proposed antiobesity mechanisms. In this study, we investigated the effect of diphlorethohydroxycarmalol (DPHC) isolated from Ishige okamurae on the apoptotic pathway. The results showed that DPHC inhibited population growth in 3 T3-L1 preadipocytes as assessed using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay. Flow cytometric analysis of 3 T3-L1 preadipocytes showed that the number of early and late apoptotic cells increases in a dose-dependent manner after exposure to DPHC, while the number of normal cells was reduced. Our findings indicate that the induction of apoptosis in 3 T3-L1 preadipocytes by DPHC is mediated through the activation of caspase-3, Bax, and caspase-9, and then through the cleavage of poly(ADP-ribose) polymerase and the down-regulation of Bcl-2. The data also indicated that treatment with DPHC inhibits histone deacetylase activity in 3 T3-L1 preadipocytes. These results show that DPHC efficiently induces apoptosis in 3 T3-L1 preadipocytes.
A model for dynamic relaxations in amorphous polymers. I. Conceptual framework, formal implementation of simplest version, and application to poly(ester carbonates) (1991)

Abstract A new model for the dynamic relaxations occurring below the glass transition temperature in amorphous polymers is introduced. This model combines ideas from theoretical solidstate physics, thermodynamics, and statistical mechanics. Formal analogies are made between the dynamic relaxations and phase transitions. The concepts of percolation theory are briefly discussed. The molecular level motions which might be giving rise to each dynamic relaxation are incorporated within this framework. The simplest version of the model is then formally implemented within the context of bisphenol‐A polycarbonate (BPAPC) and its poly (ester carbonates) (PEC). The following results are calculated: (1) Characteristic temperatures ( T c ) for BPAPC, similar to γ 1 , and γ 2 relaxation temperatures observed by dynamic mechanical spectroscopy (DMS) at commonly used measurement frequencies. (2) T c for the β 2 relaxation in tetrabromo‐BPAPC much higher than the T c in BPAPC. (3) A slow and monotonic increase in both the intensity and the T c of the γ 2 relaxation with an increasing fraction of terephthalate comonomer in PEC copolymers. It is hoped that this model, which is admittedly tentative at this time, will be useful as a working hypothesis. The next paper of this series will provide extensions and generalizations of the model, and its application to the poly (alkyl methacrylates).
Synthesis and Anti-HIV-1 Reverse Transcriptase Activity of Triphosphates of Penciclovir and β-D-Dioxolane-Guanine (1996)

Abstract The synthesis of R- and S-9-(4-Hydroxy-3-hydroxymethyl-but-l-yl)guanine (PCV) and (−)-β-D-dioxolane-guanine (DXG) triphosphate and their enzyme inhibitory activity is descibed.
Coherent superconducting quantum pump (2012)

We demonstrate nonadiabatic charge pumping utilizing a sequence of coherent oscillations between a superconducting island and two reservoirs. The pumping rate for each elementary cycle is limited by the coupling between the island and the reservoirs given by the Josephson energy. Our experimental and theoretical studies show that relaxation can be employed to reset the pump in order to avoid accumulation of errors due to nonideal control pulses. Thus our results demonstrate the effects of nonadiabatic quantum pumping and dissipation.
Scalable Gastric Resident Systems for Veterinary Application (2018)

Gastric resident dosage forms have been used successfully in farm animals for the delivery of a variety of drugs helping address the challenge of extended dosing. Despite these advances, there remains a significant challenge across the range of species with large variation in body size. To address this, we investigate a scalable gastric resident platform capable of prolonged retention. We investigate prototypes in dimensions consistent with administration and retention in the stomachs of two species (rabbit and pig). We investigate sustained gastric retention of our scalable dosage form platform, and in pigs show the capacity to modulate drug release kinetics of a model drug in veterinary practice, meloxicam, with our dosage form. The ability to achieve gastric residence and thereby enable sustained drug levels across different species may have a significant impact in the welfare of animals in both research, agricultural, zoological, and clinical practice settings.