gebhart/patrepeval huggingface dataset:
CCDC 946805: Experimental Crystal Structure Determination (2015)

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
SAFETY PERFORMANCE EVALUATION OF MINNESOTA'S ALUMINUM TYPE III BARRICADES (2000)

A wide variety of traffic controlling devices are used in work zones, some of which are not normally found on the roadside or in the traveled way outside of the work zones. These devices are used to enhance the safety of the work zones by controlling the traffic through these areas. Due to the placement of the traffic control devices, the devices themselves may be potentially hazardous to both workers and errant vehicles. The impact performance of many work-zone traffic control devices is mainly unknown and to date limited crash testing has been conducted, under the criteria of NCHRP Report No. 350, Recommended Procedures for the Safety Performance Evaluation of Highway Features. The objective of the study was to evaluate the safety performance of existing aluminum type III barricade systems through full-scale crash testing. A total of four full-scale crash tests were conducted on type III barricades to determine their safety performance according to the Test Level 3 criteria set forth in NCHRP Report No. 350. All of the impacts on the barricade systems resulted in acceptable safety performances. Following the analysis of the crash tests and test results from other testing programs, it was found that slight variations in design features of the work-zone traffic control devices can lead to very different performance results. Therefore, extreme care should be taken in applying results of one work-zone traffic control device crash test to another similar work-zone traffic control device with slight variations. The results of the crash tests were documented, and conclusions and recommendations pertaining to the safety performance of the existing work-zone traffic control devices were made.
Abstract 16042: Selective Renal Sympathetic Denervation With Arterial Sparing?: An in vivo Proof of Principle Study Using Ultrasound Energy (2011)

Introduction: Renal artery sympathetic denervation using radiofrequency (RF) energy has recently been shown to reduce blood pressure in patients with hypertension. However, RF energy causes transmu...
Track and hold circuit design and implementation in 65 nm CMOS technology for RF subsampling receivers (2008)

In this paper, two track and hold circuits are designed and implemented using 65 nm CMOS technology. The first circuit is based on a dummy switch topology to decrease the charge injection error. The second circuit uses a clock linearization technique to reduce the sampling instant inaccuracy. Simulation results show that the track and hold circuit based on dummy transistor technique presents the best performances in terms of rapidity and accuracy.
Electron Transport in a Methanofullerene (2003)

Abstract The current–voltage characteristics of methanofullerene [6,6]‐phenyl C 61 ‐butyric acid methyl ester (PCBM)‐based devices are investigated as a function of temperature. The occurrence of space–charge limited current enables a direct determination of the electron mobility. At room temperature, an electron mobility of μ e = 2 × 10 –7 m 2 V –1 s –1 has been obtained. This electron mobility is more than three orders of magnitude larger than the hole mobility of donor‐type conjugated polymer poly(2‐methoxy‐5‐(3′,7′‐dimethyloctyloxy)‐ p ‐phenylene vinylene) (OC 1 C 10 ‐PPV). As a result, the dark current in PCBM/OC 1 C 10 ‐PPV based devices is completely dominated by electrons. The observed field and temperature‐dependence of the electron mobility of PCBM can be described with a Gaussian disorder model. This provides information about the energetic disorder and average transport‐site separation in PCBM.
Inverse-Designed Lithium Niobate Nanophotonics (2023)

Lithium niobate-on-insulator (LNOI) is an emerging photonic platform that exhibits favorable material properties (such as low optical loss, strong nonlinearities, and stability) and enables large-scale integration with stronger optical confinement, showing promise for future optical networks, quantum processors, and nonlinear optical systems. However, while photonics engineering has entered the era of automated “inverse design” via optimization in recent years, the design of LNOI integrated photonic devices still mostly relies on intuitive models and inefficient parameter sweeps, limiting the accessible parameter space, performance, and functionality. Here, we implement a 3D gradient-based inverse-design model tailored for topology optimization based on the LNOI platform, which not only could efficiently search a large parameter space, but also takes into account practical fabrication constraints, including minimum feature sizes and etched sidewall angles. We experimentally demonstrate a spatial-mode multiplexer, a waveguide crossing, and a compact waveguide bend, all with low insertion losses, tiny footprints, and excellent agreement between simulation and experimental results. The devices, together with the design methodology, represent a crucial step toward the variety of advanced device functionalities needed in future LNOI photonics and could provide compact and cost-effective solutions for future optical links, quantum technologies, and nonlinear optics.
Toward Understanding Catastrophic Forgetting in Continual Learning (2019)

We study the relationship between catastrophic forgetting and properties of task sequences. In particular, given a sequence of tasks, we would like to understand which properties of this sequence influence the error rates of continual learning algorithms trained on the sequence. To this end, we propose a new procedure that makes use of recent developments in task space modeling as well as correlation analysis to specify and analyze the properties we are interested in. As an application, we apply our procedure to study two properties of a task sequence: (1) total complexity and (2) sequential heterogeneity. We show that error rates are strongly and positively correlated to a task sequence's total complexity for some state-of-the-art algorithms. We also show that, surprisingly, the error rates have no or even negative correlations in some cases to sequential heterogeneity. Our findings suggest directions for improving continual learning benchmarks and methods.
Insights into population genetics and evolution of polyploids and their ancestors (2018)

We have developed the first comprehensive simulator for polyploid genomes (PolySim) and demonstrated its value by performing large-scale simulations to examine the effect of different population parameters on the evolution of polyploids. PolySim is unlimited in terms of ploidy, population size or number of simulated loci. Our process considered the evolution of polyploids from diploid ancestors, polysomic inheritance, inbreeding, recombination rate change in polyploids and gene flow from lower to higher ploidies. We compared the number of segregating single nucleotide polymorphisms, minor allele frequency, heterozygosity, R<sup>2</sup> and average kinship relatedness between different simulated scenarios, and to real data from polyploid species. As expected, allotetraploid populations showed no difference from their ancestral diploids when population size remained constant and there was no gene flow or multivalent (MV) pairing between subgenomes. Autotetraploid populations showed significant differences from their ancestors for most parameters and diverged from their ancestral populations faster than allotetraploids. Autotetraploids can have significantly higher heterozygosity, relatedness and extended linkage disequilibrium compared with allotetraploids. Interestingly, autotetraploids were more sensitive to increasing selfing rate and decreasing population size. MV formation can homogenize allotetraploid subgenomes, but this homogenization requires a higher MV rate than previously proposed. Our results can be considered as the first building block to understand polyploid population evolutionary dynamics. PolySim can be used to simulate a wide variety of polyploid organisms that mimic empirical populations, which, in combination with quantitative genetics tools, can be used to investigate the power of genomewide association, genomic selection or breeding programme designs in these species.
Using Goggles to Increase Periocular Humidity and Reduce Dry Eye Symptoms (2013)

Increasing the periocular humidity has a significant positive impact on ocular comfort in patients with dry eye. This effect is transient. However, the significance of the improvement is such that the use of goggles should be revisited to help patients suffering from chronic discomfort and other dry eye sequelae. Furthermore, the response of an individual patient to short-term goggle wear may help streamline treatment options for both physicians and patients.
Radical Ion (2016)

This document contains recommendations for terminology in mass spectrometry. Development of standard terms dates back to 1974 when the IUPAC Commission on Analytical Nomenclature issued recommendations on mass spectrometry terms and definitions. In 1978, the IUPAC Commission on Molecular Structure and Spectroscopy updated and extended the recommendations and made further recommendations regarding symbols, acronyms, and abbreviations. The IUPAC Physical Chemistry Division Commission on Molecular Structure and Spectroscopy’s Subcommittee on Mass Spectroscopy revised the recommended terms in 1991 and appended terms relating to vacuum technology. Some additional terms related to tandem mass spectrometry were added in 1993 and accelerator mass spectrometry in 1994. Owing to the rapid expansion of the field in the intervening years, particularly in mass spectrometry of biomolecules, a further revision of the recommendations has become necessary. This document contains a comprehensive revision of mass spectrometry terminology that represents the current consensus of the mass spectrometry community.
Novel positive allosteric modulators of GABAA receptors: Do subtle differences in activity at α1 plus α5 versus α2 plus α3 subunits account for dissimilarities in behavioral effects in rats? (2020)

Over the last years, genetic studies have greatly improved our knowledge on the receptor subtypes mediating various pharmacological effects of positive allosteric modulators at GABAA receptors. This stimulated the development of new benzodiazepine (BZ)-like ligands, especially those inactive/low-active at GABAA receptors containing the α1 subunit, with the aim of generating more selective drugs. Hereby, the affinity and efficacy of four recently-synthesized BZ site ligands: SH-053-2’N, SH-053-S-CH3-2’F, SH-053-R-CH3-2’F and JY-XHe-053 were assessed. They were also studied in behavioral tests of spontaneous locomotor activity, elevated plus maze, and water maze in rats, which are considered predictive of, respectively, the sedative, anxiolytic, and amnesic influence of BZs. The novel ligands had moderately low to low affinity and mild to partial agonistic efficacy at GABAA receptors containing the α1 subunit, with variable, but more pronounced efficacy at other BZ-sensitive binding sites. While presumably α1 receptor-mediated sedative effects of GABAA modulation were not fully eliminated with any of the ligands tested, only SH-053-2’N and SH-053-S-CH3-2’F, both dosed at 30 mg/kg, exerted anxiolytic effects. The lack of clear anxiolytic-like activity of JY-XHe-053, despite its efficacy at α2- and α3-GABAA receptors, may have been partly connected with its preferential affinity at α5-GABAA receptors coupled with weak agonist activity at α1-containing subtypes. The memory impairment in water-maze experiments, generally reported with BZ site agonists, was completely circumvented with all four ligands. The results suggest that a substantial amount of activity at α1 GABAA receptors is needed for effecting spatial learning and memory impairments, while much weaker activity at α1- and α5-GABAA receptors is sufficient for eliciting sedation.
Complexes between Synthetic Macromolecules (1973)

二次結合力を介して形成される合成高分子間コンプレックスの研究は,まず(1)Comlexationの取扱や理論を確立し,次いで(2)高分子にしか見られない特p徴(高分子効果)をはっきりさせてゆくことであり,さらには(3)成分高分子のいずれとも性質の違った新材料の誕生につながるものであって,この分野には大きな期待がかけられている.高分子が集合して形成するコンプレックスに関連する報告は従来あまり多くなく,生体機能における複雑なしくみの理解はかなり進んでいるのに,単純ですぐれたモデルであるはずの合成高分子での, 検討や法則化がいたって遅れているようにも感じられる. ここでは合成高分子間コンプレックスの生成反応,相互作用の協同性,非平衡状態を利用した構造化などについて紹介することにしたい.
<title>Fast convolution on a programmable media processor and application in unsharp masking</title> (1998)

Convolution is a fundamental operation to many image processing algorithms and applications. One such algorithm is unsharp masking, which is widely used in medical imaging. A major component in unsharp masking is the computation of a lowpass-filtered image, e.g., via generalized convolution with a Gaussian filter or via specialized convolution with a boxcar filter. Generalized convolution is computationally expensive, e.g., convolution with a 3 X 3 kernel on a 512 X 512 image takes 1.45 sec on SUN SparcStation 20/71. In order to achieve faster computation in convolution, hardwired solutions with ASICs and/or fixed-function chips with little programmability have been traditionally used. The disadvantages associated with hardwired implementations are that they are rigid, uni-functional and not upgradable. Our approach has been programmable convolution, which is flexible, multi-functional, easily-upgradable and has a performance comparable to the hardwired implementations. This paper describes efficient software implementations of both generalized and boxcar convolution on a programmable multimedia processor, the Texas Instruments TMS320C80, also known as Multimedia Video Processor (MVP). Using the MVP's advanced digital signal processors (ADSPs), instruction-level parallelism and intelligent input/output interface, we have been able to significantly improve the performance of both generalized and boxcar convolution. For a 512 X 512 8-bit image, generalized convolution takes 19.5 ms for a 3 X 3 kernel. While the boxcar convolution has similar performance for a 3 X 3 kernel, the performance improvement by a factor of up to 13 has been achieved for large-size kernels such as 21 X 21. Our implementation of convolution algorithms on programmable mediaprocessor clearly demonstrates the feasibility of software-based approach.
Analysis of results of ASTP experiment in electrophoresis (1977)

The Apollo-Soyuz Test Project (ASTP) included an electrophoretic separation experiment of biological cells. The nature separation results of aldehyde-fixed rabbit, human and horse red blood cells, which were taken in the form of photographs taken at three-minute intervals, are the subject of this report. The electrophoretic separation was successful in that fractionation according to mobility did occur and was found in the sliced samples. Photographic evidence indicates that the low electroosmotic methylcellulose coating was successful in reducing the electroosmosis to a near zero value. Also, the flight film shows that the bands migrated down the column as theory would predict, producing two bands of high cell concentration separated and surrounded by regions of lower cell concentration. However, most likely some clumping of cells occurred to cause the trailing band to be larger than expected from theory. Overall, the experiment was a success in demonstrating a static electrophoresis separation under microgravity conditions with a resolution not possible on earth.
Optimal Dispatch of Photovoltaic Inverters in Residential Distribution Systems (2013)

Low-voltage distribution feeders were designed to sustain unidirectional power flows to residential neighborhoods. The increased penetration of roof-top photovoltaic (PV) systems has highlighted pressing needs to address power quality and reliability concerns, especially when PV generation exceeds the household demand. A systematic method for determining the active- and reactive-power set points for PV inverters in residential systems is proposed in this paper, with the objective of optimizing the operation of the distribution feeder and ensuring voltage regulation. Binary PV-inverter selection variables and nonlinear power-flow relations render the novel optimal inverter dispatch problem nonconvex and NP-hard. Nevertheless, sparsity-promoting regularization approaches and semidefinite relaxation techniques are leveraged to obtain a computationally feasible convex reformulation. The merits of the proposed approach are demonstrated using real-world PV-generation and load-profile data for an illustrative low-voltage residential distribution system.
AtlFast3: The Next Generation of Fast Simulation in ATLAS (2022)

Abstract The ATLAS experiment at the Large Hadron Collider has a broad physics programme ranging from precision measurements to direct searches for new particles and new interactions, requiring ever larger and ever more accurate datasets of simulated Monte Carlo events. Detector simulation with Geant4 is accurate but requires significant CPU resources. Over the past decade, ATLAS has developed and utilized tools that replace the most CPU-intensive component of the simulation—the calorimeter shower simulation—with faster simulation methods. Here, AtlFast3, the next generation of high-accuracy fast simulation in ATLAS, is introduced. AtlFast3 combines parameterized approaches with machine-learning techniques and is deployed to meet current and future computing challenges, and simulation needs of the ATLAS experiment. With highly accurate performance and significantly improved modelling of substructure within jets, AtlFast3 can simulate large numbers of events for a wide range of physics processes.
Privileged identity management in enterprise service-hosting environments (2012)

IAM needs will only grow as devices, servers, and end points continue to increase . Current schemes are not sustainable as the number of IDs will explode. Environment is heterogeneous, and constantly adding new systems including Cloud. Our solution offers a platform where a user gets an individual user ID on a system - but only if they need it, when they need it, for only as long as they need it . Reusable ID scheme reduces the number of IDs in the system yielding cost savings on lifecycle management activities, improved security compliance . A compliance readiness platform can be enabled to prevent, flag, or monitor questionable access in or near real-time . Provide easily accessible logs to prove compliance policies.
A model symbiosis reveals a role for sheathed-flagellum rotation in the release of immunogenic lipopolysaccharide (2014)

Bacterial flagella mediate host-microbe interactions through tissue tropism during colonization, as well as by activating immune responses. The flagellar shaft of some bacteria, including several human pathogens, is encased in a membranous sheath of unknown function. While it has been hypothesized that the sheath may allow these bacteria to evade host responses to the immunogenic flagellin subunit, this unusual structural feature has remained an enigma. Here we demonstrate that the rotation of the sheathed flagellum in both the mutualist Vibrio fischeri and the pathogen Vibrio cholerae promotes release of a potent bacteria-derived immunogen, lipopolysaccharide, found in the flagellar sheath. We further present a new role for the flagellar sheath in triggering, rather than circumventing, host immune responses in the model squid-vibrio symbiosis. Such an observation not only has implications for the study of bacterial pathogens with sheathed flagella, but also raises important biophysical questions of sheathed-flagellum function. DOI: http://dx.doi.org/10.7554/eLife.01579.001.
Unusual solvatochromism of the 4,4′‐bis(dimethylamino)benzophenone (Michler's ketone)–tetracyanoethene electron donor–acceptor complex (1999)

The transition energy of the charge-transfer UV/Vis absorption maxima (νmax, CT) and the structure of the Michler's ketone (MK)–tetracyanoethene (TCNE) electron donor–acceptor (EDA) complex are remarkably solvent dependent. The UV/Vis spectra of the MK–TCNE complex were measured in 20 non-protic and seven protic solvents. In non-protic solvents, νmax, CT of the EDA complex is quantitatively described by a multiple LSE relationship using the Kamlet–Taft dipolarity/polarizability (π*) and basicity (β) parameters of the solvents. The influence of the two terms β and π* on νmax, CT is opposite, indicating a qualitatively different solvent-induced stabilization of the electronic ground and excited states of the complex. As expected, increasing dipolarity/dipolarizability of the solvent causes a bathochromic band shift (positive solvatochromism), whereas the basicity of solvents is responsible for a hypsochromic band shift due to specific solvation of the TCNE site. In protic solvents, the complex formation is associated with the formation of an ionic species (νmax = 19 800 cm−1) derived from Michler's ketone due to coordination of TCNE at the carbonyl oxygen of MK (called an n-complex). The solvent-induced switching of the π-complex into the n-complex is demonstrated for mixtures of DCE with protic solvents and for silica surfaces. Copyright © 1999 John Wiley & Sons, Ltd.
Parle: parallelizing stochastic gradient descent (2017)

We propose a new algorithm called Parle for parallel training of deep networks that converges 2-4x faster than a data-parallel implementation of SGD, while achieving significantly improved error rates that are nearly state-of-the-art on several benchmarks including CIFAR-10 and CIFAR-100, without introducing any additional hyper-parameters. We exploit the phenomenon of flat minima that has been shown to lead to improved generalization error for deep networks. Parle requires very infrequent communication with the parameter server and instead performs more computation on each client, which makes it well-suited to both single-machine, multi-GPU settings and distributed implementations.
17β-Estradiol Inhibits Apoptotic Cell Death of Oligodendrocytes by Inhibiting RhoA-JNK3 Activation after Spinal Cord Injury (2012)

A delayed oligodendrocyte cell death after spinal cord injury (SCI) contributes to chronic demyelination of spared axons, leading to a permanent neurological deficit. Therefore, therapeutic approaches to prevent oligodendrocyte cell death after SCI should be considered. Estrogens are well known to have a broad neuroprotective effect, but the protective effect of estrogens on oligodendrocytes after injury is largely unknown. Here, we demonstrated that 17β-estradiol attenuates apoptosis of oligodendrocytes by inhibiting RhoA and c-Jun-N-terminal kinase activation after SCI. Estrogen receptor (ER)-α and -β were expressed in oligodendrocytes of the spinal cord, and 17β-estradiol treatment significantly inhibited oligodendrocyte cell death at 7 d after injury as compared with vehicle (cyclodextrin) control. 17β-Estradiol also attenuated caspase-3 and -9 activation at 7 d and reduced the loss of axons from progressive degeneration. In addition, 17β-estradiol inhibited RhoA and JNK3 activation, which were activated and peaked at 3 and/or 5 d after injury. Furthermore, administration of Rho inhibitor, PEP-1-C3 exoenzyme, inhibited RhoA and JNK3 activation, and decreased phosphorylated c-Jun level at 5 d after injury. Additionally, the attenuation of RhoA and JNK3 activation as well as oligodendrocyte cell death by 17β-estradiol was reversed by ER antagonist, ICI182780. Our results thus indicate that 17β-estradiol treatment improves functional recovery after SCI in part by reducing oligodendrocyte cell death via inhibition of RhoA and JNK3 activation, which were ER dependent. Furthermore, improvement of hindlimb motor function by posttreatment of 17β-estradiol suggests its potential as a therapeutic agent for SCI patients.