gebhart/patrepeval huggingface dataset:
Less is more: Sampling chemical space with active learning (2018)

The development of accurate and transferable machine learning (ML) potentials for predicting molecular energetics is a challenging task. The process of data generation to train such ML potentials is a task neither well understood nor researched in detail. In this work, we present a fully automated approach for the generation of datasets with the intent of training universal ML potentials. It is based on the concept of active learning (AL) via Query by Committee (QBC), which uses the disagreement between an ensemble of ML potentials to infer the reliability of the ensemble's prediction. QBC allows the presented AL algorithm to automatically sample regions of chemical space where the ML potential fails to accurately predict the potential energy. AL improves the overall fitness of ANAKIN-ME (ANI) deep learning potentials in rigorous test cases by mitigating human biases in deciding what new training data to use. AL also reduces the training set size to a fraction of the data required when using naive random sampling techniques. To provide validation of our AL approach, we develop the COmprehensive Machine-learning Potential (COMP6) benchmark (publicly available on GitHub) which contains a diverse set of organic molecules. Active learning-based ANI potentials outperform the original random sampled ANI-1 potential with only 10% of the data, while the final active learning-based model vastly outperforms ANI-1 on the COMP6 benchmark after training to only 25% of the data. Finally, we show that our proposed AL technique develops a universal ANI potential (ANI-1x) that provides accurate energy and force predictions on the entire COMP6 benchmark. This universal ML potential achieves a level of accuracy on par with the best ML potentials for single molecules or materials, while remaining applicable to the general class of organic molecules composed of the elements CHNO.
Development of Mask Materials for EUVL (2002)

Though the Semiconductor market is soft, the technology that drives it continues to march on. Corning has supplied the semiconductor market through two generations of lithography with KrF and ArF grade HPFS Glass; the established excellence will continue with the supply of CaF<sub>2</sub> for 157nm and ULE Glass for 13nm. ULE Glass is a low expansion silicate glass that has historically been used for ground and spaced based telescope mirrors such as Gemini and Hubble. Industry experts have now identified ULE Glass as a material of choice for EUVL applications; but with new opportunities come new hurdles, and ULE Glass will need to be improved in order to meet the challenges of EUVL. The purpose of this presentation is to give the audience a general update of Corning's ULE Glass improvement effort for EUVL, with focus on EUV photomask requirements; it will include an overview of key ULE Glass properties, improvements that have been made, and a road map of work to be done.
In vitro comparison of initiation properties of bacteriophage lambda wild-type PR and x3 mutant promoters. (1980)

The in vitro initiation properties of the PR promoter of bacteriophage lambda and of a PR mutant, x3, were compared. Using the abortive initiation reaction, we measured the lags in the approach to a final steady-state rate when dinucleotide synthesis was initiated with RNA polymerase. These lags corresponded to the average times required for the formation of transcriptionally active open complexes. By measuring the lags at different RNA polymerase concentrations, we could separate open complex formation into two steps, based on a simple model in which the initial bimolecular association of free promoter and polymerase in a closed complex is followed by an isomerization to the open complex. The contribution of each step to the overall rate of open complex formation was quantitated for both promoters. We found that the x3 mutation, which is located in the -35 region of PR, resulted in a decrease in the association constant for the initial binding to the closed complex to 5% of its wild-type value and a decrease in the rate of the isomerization to 20%. The lifetimes and abortive initiation characteristics of the mutant and wild-type promoters were similar. We concluded that the main effect of the x3 mutation was to increase the average time of open complex formation and that the functional properties of the open complexes did not differ significantly between the two promoters.
Lattice Boltzmann Method of Different BGA Orientations on I-Type Dispensing Method (2016)

This paper studies the three dimensional (3D) simulation of fluid flows through the ball grid array (BGA) to replicate the real underfill encapsulation process. The effect of different solder bump arrangements of BGA on the flow front, pressure and velocity of the fluid is investigated. The flow front, pressure and velocity for different time intervals are determined and analyzed for potential problems relating to solder bump damage. The simulation results from Lattice Boltzmann Method (LBM) code will be validated with experimental findings as well as the conventional Finite Volume Method (FVM) code to ensure highly accurate simulation setup. Based on the findings, good agreement can be seen between LBM and FVM simulations as well as the experimental observations. It was shown that only LBM is capable of capturing the micro-voids formation. This study also shows an increasing trend in fluid filling time for BGA with perimeter, middle empty and full orientations. The perimeter orientation has a higher pressure fluid at the middle region of BGA surface compared to middle empty and full orientation. This research would shed new light for a highly accurate simulation of encapsulation process using LBM and help to further increase the reliability of the package produced.
The hEag1 K+ Channel Inhibitor Astemizole Stimulates Ca2+ Deposition in SaOS-2 and MG-63 Osteosarcoma Cultures (2022)

The hEag1 (Kv10.1) K<sup>+</sup> channel is normally found in the brain, but it is ectopically expressed in tumor cells, including osteosarcoma. Based on the pivotal role of ion channels in osteogenesis, we tested whether pharmacological modulation of hEag1 may affect osteogenic differentiation of osteosarcoma cell lines. Using molecular biology (RT-PCR), electrophysiology (patch-clamp) and pharmacology (astemizole sensitivity, IC<sub>50</sub> = 0.135 μM) we demonstrated that SaOS-2 osteosarcoma cells also express hEag1 channels. SaOS-2 cells also express to KCa1.1 K<sup>+</sup> channels as shown by mRNA expression and paxilline sensitivity of the current. The inhibition of hEag1 (2 μM astemizole) or KCa1.1 (1 mM TEA) alone did not induce Ca<sup>2+</sup> deposition in SaOS-2 cultures, however, these inhibitors, at identical concentrations, increased Ca<sup>2+</sup> deposition evoked by the classical or pathological (inorganic phosphate, Pi) induction pathway without causing cytotoxicity, as reported by three completer assays (LDH release, MTT assay and SRB protein assay). We observed a similar effect of astemizole on Ca<sup>2+</sup> deposition in MG-63 osteosarcoma cultures as well. We propose that the increase in the osteogenic stimuli-induced mineral matrix formation of osteosarcoma cell lines by inhibiting hEag1 may be a useful tool to drive terminal differentiation of osteosarcoma.
A Simple Subnanosecond Light Pulser (2012)

An electronic circuit for generation of short light pulses is presented. The circuit uses low-cost, general-purpose electronic components and is simple in its structure. It is suitable for testing of the instruments and setups for the detection of light and adjusting correct timing and synchronization. The light pulses have a full width at half-maximum (FWHM) ranging from 0.9 to 2 ns for selected blue and red LEDs, and 250 ps for a red laser diode.
Laryngopharyngeal reflux and Helicobacter pylori. (2014)

Laryngopharyngeal reflux (LPR) occurs when gastric contents pass the upper esophageal sphincter, causing symptoms such as hoarseness, sore throat, coughing, excess throat mucus, and globus. The pattern of reflux is different in LPR and gastroesophageal reflux. LPR usually occurs during the daytime in the upright position whereas gastroesophageal reflux disease more often occurs in the supine position at night-time or during sleep. Ambulatory 24-h double pH-probe monitoring is the gold standard diagnostic tool for LPR. Acid suppression with proton pump inhibitor on a long-term basis is the mainstay of treatment. Helicobacter pylori (H. pylori) is found in many sites including laryngeal mucosa and interarytenoid region. In this paper, we aim to present the relationship between LPR and H. pylori and review the current literature.
Caspase inhibitors increase short‐term survival of progenitor‐cell progeny in the adult rat dentate gyrus following status epilepticus (2001)

The dentate gyrus (DG) is one of the few regions in the brain that continues to produce new neurons throughout adulthood. Seizures not only increase neurogenesis, but also lead to death of DG neurons. We investigated the relationship between cell death and neurogenesis following seizures in the DG of adult rats by blocking caspases, which are key components of apoptotic cell death. Multiple intracerebroventricular infusions of caspase inhibitors (pancaspase inhibitor zVADfmk, and caspase 3 and 9 inhibitor) prior to, just after, 1 day after, and 1 week following 2 h of lithium-pilocarpine-induced status epilepticus reduced the number of terminal deoxynucleotidyl transferase-mediated fluorescein-dUTP nick-end labelled (TUNEL) cells and increased the number of bromodeoxyuridine (BrdU) -stained proliferated cells in the subgranular zone at 1 week. The caspase inhibitor-treated group did not differ from control at 2 days or 5 weeks following the epileptic insult. Our findings suggest that caspases modulate seizure-induced neurogenesis in the DG, probably by regulating apoptosis of newly born neurons, and that this action can be suppressed transiently by caspase inhibitors. Furthermore, although previous studies have indicated that increased neuronal death can trigger neurogenesis, we show here that reduction in apoptotic death may be associated with increased neurogenesis.
Costimulation of fibronectin receptor promotes Fc γ R-mediated rescue of IL-3-dependent bone marrow-derived cells from apoptosis (1996)

The IL-3-dependent murine bone marrow-derived cell line FDC-P2/185-4 (185-4) undergoes apoptosis when IL-3 is withdrawn from the culture medium. However, a high concentration of aggregated mouse IgG prevents apoptosis of 185-4 cells by an autocrine mechanism, producing IL-3. An analysis of flow cytometry revealed that 185-4 cells expressed Fc gamma RIII on their surface and that these effects of IgG are inhibited by anti-Fc gamma RIII mAb. These results indicated that the effect of IgG is mediated by low affinity Fc gamma RIII. In contrast, a low concentration of mouse IgG cannot prevent the apoptosis of 185-4 cells, but in the presence of fibronectin (FN), cell survival is prolonged. It is generally accepted that the interaction of cells with FN is mediated by several integrins such as alpha 5 beta 1 (VLA-5) or alpha 4 beta 1 (VLA-4), and analysis of flow cytometry showed that 185-4 cells express these integrins on their surface. Furthermore, these effects of FN are blocked specifically by RGD peptide or anti-VLA-4 mAb. These findings indicated that FN induces the costimulatory signal through integrin receptor and enhances the proliferative effect through Fc gamma RIII by a low concentration of IgG. The findings presented here suggested that the engagement of FN-integrin receptors on 185-4 cells increases the sensitivity of the cells for cellular activation of IgG. Since inflammatory cells in the microenvironment are surrounded by extracellular matrix proteins, it is possible that adhesion molecules play important roles in inflammatory states such as autoimmune diseases caused by increased levels of IgG.
Preparation and characterization of copper-coated polyester fabric pretreated with laser by magnetron sputtering (2017)

Laser treatment is a high-efficiency coating process with many advantages of stable performance, convenient operation and environmental friendly. In this study, an efficient method for the pretreatment of polyester fabric, based on exposure to the output from a CO 2 laser, is investigated. Polyester fabrics were treated by laser and then copper films were coated on the surface of treated polyester fabrics by magnetron sputtering method. Copper-coated polyester fabrics were characterized by XRD and SEM. Contact angle, heat generation and electrical conductivity of copper coated polyester fabric were tested. The electrical conductivity, UPF value and contact angle of copper-coated polyester fabric with pretreatment of 6.5 W lasers are 0.239 Ω/sq, 147.4, and 128.5°, respectively. The temperature of copper-coated fabric can be kept at 25.8℃ using only 5 V. The results suggest that the copper-coated polyester fabric with pretreatment of laser has excellent electrical conductive property, hydrophobicity, UV blocking, and heat generation properties. The adhesion strength between copper coating and fibers is improved after laser treatment. Laser can be potentially used in pretreatment of fabrics before coating in the future.
Branched-chain amino acids (BCAAS) and athletic performance (2001)

Amino-acid supplements have been marketed to athletes for the last 2 decades. The claims that the amino acids they contain are superior to those found in food are not well supported, nor has it been shown that they achieve a superior functional outcome. Although there is some evidence that taking amino-acid supplements after exercise might promote better net muscle-protein retention, it is equally likely that this effect can be achieved from eating food containing amino acids. In fact, coingestion of carbohydrate is important in maximizing the effect. There is a theory that fatigue can occur during prolonged exercise as a result of changes in plasma ratios of free tryptophan to branched-chain amino acids (BCAAs), leading to an increase in serotonin production. Although it has been proposed that supplementation with BCAAs might attenuate the development of central fatigue, studies have not shown a clear benefit in prolonged exercise. In fact, ingesting carbohydrate during exercise will also produce a metabolic profile attenuating the development of central fatigue.
MEDICATION ERRORS (2009)

President of the Institute for Safe Medication Practices The reports described in Medication Errors were received through the USP-ISMP Medication Errors Reporting Program. Report errors, close calls, or hazardous conditions to the Institute for Safe Medication Practices (ISMP) at http://www.ismp.org or the United States Pharmacopeia (USP) at http://www.usp.org. You can also call ISMP at 1-800-FAIL SAFE or send an e-mail message to [email protected]. Michael R. Cohen is a member of the Nursing2009 editorial advisory board.
Home automation using Cloud Network and mobile devices (2012)

Today, we are entering post-PC era where mobile devices (e.g. iPads, Smartphones and Handheld tablets) are handling daily tasks that traditional desktop and laptop computers once handled. Several reports show that personal computers are no longer on the leading the edge of computing and the use of mobile devices are quickly taking over. Accompanying the shift from PCs to multi-touch mobile devices is the use and implementation of Cloud Networking. With the availability of products which integrate mobile devices and cloud networking rapidly increasing, many users can see how new technology can impact their everyday lives. In this paper we have developed a Home Automation system that employs the integration of multi-touch mobile devices, cloud networking, wireless communication, and power-line communication to provide the user with remote control of various lights and appliances within their home. This system uses a consolidation of a mobile phone application, handheld wireless remote, and PC based program to provide a means of user interface to the consumer. The home automation system differs from other systems by allowing the user to operate the system without the dependency of a mobile carrier or Internet connection via the in-home wireless remote. This system is designed to be low cost and expandable allowing a variety of devices to be controlled.
Development toward high-speed integrated circuits and AQUID qubits with Nb/AlO/sub x//Nb josephson junctions (2003)

Our Nb/AlO/sub x//Nb planarized process has been upgraded by adding extra dielectric and Nb wiring layers and the installation of an Inductively Coupled Plasma (ICP) etcher. Much higher quartz etch rates as well as reduced residue are achieved with ICP etch. Etch uniformities of both Nb and quartz are also improved significantly. Damage to Nb during the fabrication process has been investigated. We have found that dry etching in SF/sub 6/ plasma has a significant effect on the quality of Nb films under certain conditions with damage coinciding with the presence of in situ deposited Al.
How to launch 1 W into single-mode fiber from a single 1.48-μm flared resonator (2001)

The operation of 1.48-/spl mu/m flared resonators is thoroughly studied, both experimentally and theoretically: the accurate determination of threshold condition as a function of geometrical and material parameters, the study of emission spectra and astigmatism variations as a function of optical power level allow us to better understand the may these devices operate. The origin of modal distortion is then analyzed, and an original solution is proposed to increase the single-transverse-mode power at high injection level: it is shown that implanting the multiple-quantum-well active layer with protons efficiently enhances the filtering capability of the overall structure, and particularly that of the ridge waveguide, by bringing additional lateral absorption losses. The explanation of the filtering mechanism is successfully confirmed by simulations using the beam-propagation method. This technique finally allowed more than 1.3 W of continuous wave (CW) diffraction-limited power at 6 A. Low-modal-gain structures were then realized to reduce modal optical absorption in the implanted structures with a view to maintaining a high external efficiency and a reduced vertical divergence. Finally, a three-lens coupling system was designed and the effects of optical feedback minimized so as to obtain a very high coupling efficiency: with an improved laser design, 1.12 W of CW power were then coupled into single-mode fiber at 6.6 A, which represents 65% of the power emitted by the laser chip.
Towards a definition of anti-oppressive dietetic practice in Canada (2021)

Increasingly, dietitians have found ourselves working with racialized clients, communities, and colleagues across the health and food systems in Canada. We are often asked to treat the adverse health outcomes of Black, Indigenous, and racialized communities resulting from these oppressions at the individual level. However, it is the role of dietitians to engage in efforts to "reduce health inequities and protect human rights; promote fairness and equitable treatment" (College of Dietitians of Ontario, 2019). An anti-oppression approach is required for dietitians to understand how their power and privilege shape the dietitian-client relationship. The purpose of this commentary is to propose a shift from cultural competence or diversity and inclusion in dietetics to an explicit intention of anti-oppressive dietetic practice. We begin our exploration from the Canadian context. We draw from our background working in health equity in public health, and our experiences facilitating equity training using anti-oppression approaches with dietetic learners and other public health practitioners. In creating a working definition of anti-oppressive dietetic practice, we conducted a scan of anti-oppression statements by health and social services organizations in Ontario, Canada, and literature from critical dietetics. A literature search revealed anti-oppressive practice frameworks in nursing and social work. However, this language is lacking in mainstream dietetic practice, with anti-oppression only discussed within the literature on critical dietetics and social justice. We propose that "dietitians can engage in anti-oppressive practice by providing food and nutrition care/planning/service to clients while simultaneously seeking to transform health and social systems towards social justice."
Adlea (ALGRX-4975), an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief. (2008)

Anesiva Inc is developing Adlea (ALRGX-4975) - an injectable preparation of capsaicin, a TRPV1 (transient receptor potential vanilloid subfamily 1) receptor agonist - for the potential management of pain associated with osteoarthritis, tendonitiand postsurgical conditions, as well as for neuropathic pain occurring secondary to nerve injury. Adlea functions by desensitizing those neurons that conduct a long-lasting, throbbing form of pain. In phase II clinical trials, a single injection of Adlea significantly reduced pain levels in patients following total knee arthroplasty (TKA) or bunionectomy, and reduced pain in patients with osteoarthritis (OA) or Morton's neuroma. Phase II trials are ongoing to test Adlea in patients who are undergoing total hip arthroplasty or arthroscopic shoulder surgery and in patients with knee OA. Phase III clinical trials for the compound have been slated to begin in 2008 in patients following TKA or bunionectomy. Adlea appears to exhibit promise as a new medication in the treatment of conditions of chronic neuropathic pain.
A vision based system for traffic lights recognition (2015)

In this article a traffic light recognition with status detection system is introduced. The system is evaluated from a generic point of view but the applications range from Intelligent Transportation System (ITS) to visual impaired and color vision deficiencies aid to safely cross streets. The algorithm is based on color segmentation in HSV color space. After that candidates reduction is performed using a pipeline approach to speed up the algorithm. Resulting candidates are input to feature extraction and support vector machine is then applied. For the training of the Support Vector Machine a database with images collected in Chicago is used. Unlike other works the purpose is to evaluate different performance according to the feature extraction. In particular HOG, HAAR and LBP features are compared. The purpose is also to create a database to be used from other researchers. The result is accurate and reliable provided that good quality images are input to the system.
Design of polarization-insensitive Bragg gratings in zero-birefringence ridge waveguides (2001)

Addresss the problem of designing polarization-insensitive Bragg gratings in zero-birefringence ridge waveguides. It is known that the reflection spectrum of a Bragg grating is be polarization-independent if both the phase-matching condition and the coupling coefficient are polarization-independent. While the use of a zero-birefringence waveguide can guarantee a polarization-independent phase-matching condition, it does not in general lead to a polarization-independent coupling coefficient. Our theoretical analysis indicates, however, that a strictly polarization-independent coupling coefficient is not essential for the achievement of a polarization-insensitive Bragg grating. Our detailed calculations on both corrugation and phase gratings in zero-birefringence ridge waveguides reveal some general design principles. Our results should be useful for the design of a wide range of Bragg-grating-based waveguide devices.