gebhart/patrepeval huggingface dataset:
Laser double-resonance mesurements of rotational relaxation rates of HF( J=13) with rare gases, H2, and D2 (1988)

Rotational relaxation rates for HF(v=0, J=13) colliding with rare gases (He, Ne, Ar, Kr, Xe), H2, and D2 are measured using a transient-absorption double-resonance technique. The relaxation rate constants with rare gases (rotation-to-translation, R–T) decrease dramatically through the series He–Ne–Ar, then increase substantially through the series Ar–Kr–Xe, revealing the increased effectiveness of either highly impulsive or highly attractive collisions. Rate constants at 298 K are: (He), 1.3±0.2×10−11; (Ne), 2.2±0.4×10−12; (Ar), 9.3±0.9×10−13; (Kr), 4.4±0.5×10−12; (Xe), 6.2±0.6×10−12 cm3 molecule−1 s−1. The fact that the rate constants with hydrogen (1.1±0.2×10−10 cm3 molecule−1 s−1) and deuterium (1.2±0.2×10−10 cm3/molecule−1 s−1) are ten times faster than with helium underscores the importance of rotation-to-rotation (R–R) transfer in the rotational relaxation process. The decrease in rates from He to Ar can be understood by an impulsive-type model, analogous to the Schwartz, Slawsky, and Herzfeld (SSH) treatment of vibration-to-translation transfer. However, the increasing trend from Ar to Xe, while clearly due to the increasing magnitude of the attractive interaction, is not easily modeled.
GM Crops (2006)

Genetically modified crops – are they monsters of nature or could they provide answers to some of our most pressing environmental concerns? Will they create superweeds, run amock and change life as we know it, or are these fears greatly exaggerated? Internationally respected microbiologist Jennifer Thomson takes us through the issues and concerns surrounding the development of genetically modified crops and their impacts on the environment. She explains how such crops are developed and assessed and discusses the likelihood of negative effects on biodiversity, pollen spread, and organic farming. GM crops may have tremendous potential for addressing some of the world’s environmental problems and protecting the planet, particularly in developing countries – in fact we could face more harm if some of these technologies are not adopted.
Quantifying electronic band interactions in van der Waals materials using angle-resolved reflected-electron spectroscopy (2016)

High electron mobility is one of graphene's key properties, exploited for applications and fundamental research alike. Highest mobility values are found in heterostructures of graphene and hexagonal boron nitride, which consequently are widely used. However, surprisingly little is known about the interaction between the electronic states of these layered systems. Rather pragmatically, it is assumed that these do not couple significantly. Here we study the unoccupied band structure of graphite, boron nitride and their heterostructures using angle-resolved reflected-electron spectroscopy. We demonstrate that graphene and boron nitride bands do not interact over a wide energy range, despite their very similar dispersions. The method we use can be generally applied to study interactions in van der Waals systems, that is, artificial stacks of layered materials. With this we can quantitatively understand the 'chemistry of layers' by which novel materials are created via electronic coupling between the layers they are composed of.
Post-discharge Opioid Consumption After Minimally Invasive and Open Colectomy (2020)

Patients undergoing minimally invasive and open colectomy consume similar amounts of opioid after discharge. The size of the postoperative prescription, patient age, and diagnosis are more important in determining opioid use. Understanding factors influencing postoperative opioid requirements may allow surgeons to better tailor prescriptions to patient needs.
Surface morphology stabilization by chemical sputtering in carbon nitride film growth (2007)

We have studied the influence of chemical sputtering effects on the morphology of carbon nitride films grown on silicon substrates by electron cyclotron resonance chemical vapour deposition. This study has been performed by comparing the evolution of their morphology with that of hydrogenated amorphous carbon films grown under similar conditions, where these effects are not present. When chemical sputtering effects operate we observe a film surface stabilization for length scales in the 60-750 nm range after a threshold roughness of about 3-4 nm has been developed. This stabilization is explained on the basis of the re-emission of nitrogen etching species, which is confirmed by growth experiments on microstructured substrates.
Anion Selection Criteria for Water‐in‐Salt Electrolytes (2020)

Abstract Water‐in‐salt electrolytes have enabled the development of novel high‐voltage aqueous lithium‐ion batteries. This study explores the reasons why analogous sodium electrolytes have struggled to reach the same level of electrochemical stability. Solution structure and electrochemical stability are compared for 11 sodium salts, selected among the major classes of salts proposed for highly concentrated electrolytes. The water environment established for each anion is related to its position in the Hofmeister series and a surprisingly strong correlation between the chaotropicity of the anion and the resulting electrochemical stability of the electrolyte is found. The search for suitable sodium salts is complicated by the fact that higher salt concentrations are needed than for their lithium equivalents. Reaching such a high concentration of &gt; 25 mol kg −1 with one or a combination of multiple sodium salts that have the desired properties remains a major challenge. Hence, alternative approaches such as multisolvent systems should be explored. The water solubility of NaTFSI can be increased from 8 to 30 mol kg −1 in the presence of ionic liquids. Such a ternary electrolyte enables stable cycling of a 2 V class sodium‐ion battery based on the NaTi 2 (PO 4 ) 3 /Na 2 Mn[Fe(CN) 6 ] electrode couple for 300 cycles at 1C with a Coulombic efficiency of &gt; 99.5%.
Long-lived THz-induced birefringent state in quantum paraelectric KTaO3 (2022)

Abstract: We report the observation of a long-lived birefringent state in quantum paraelectric KTaO 3 induced by THz pump pulses in a two-THz-photon process. We relate this long-lived state to the proximity of the ferroelectric phase transition.
STUDIES OF INTERMOLECULAR INTERACTIONS IN PLANAR METAL COMPLEXES III1 BIS(ETHYLENE-1,2-DITHIOLENE) COMPLEXES OF NICKEL, PALLADIUM, AND PLATINUM (1973)

(1973). STUDIES OF INTERMOLECULAR INTERACTIONS IN PLANAR METAL COMPLEXES III1 BIS(ETHYLENE-1,2-DITHIOLENE) COMPLEXES OF NICKEL, PALLADIUM, AND PLATINUM. Journal of Coordination Chemistry: Vol. 3, No. 1, pp. 27-38.
Surface Roughness and Magnetic Properties of Ni and ${\rm Ni}_{78}{\rm Fe}_{22}$ Thin Films on Polyethylene Naphthalate Organic Substrates (2010)

<para xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> We have studied structural, electrical, and magnetic properties of Ni and <formula formulatype="inline"><tex Notation="TeX">${\rm Ni}_{78}{\rm Fe}_{22}$</tex> </formula> thin films evaporated on polyethylene naphtalate (PEN) organic substrates towards the fabrication of spin quantum cross (SQC) devices. As we have investigated the scaling properties on the surface roughness, the surface roughness of Ni (16 nm)/PEN is 0.34 nm, corresponding to 2 or 3 atomic layers, in the scanning scale of 16 nm, and the surface roughness of <formula formulatype="inline"><tex Notation="TeX">${\rm Ni}_{78}{\rm Fe}_{22}$</tex> </formula> (14 nm)/PEN is also as small as 0.25 nm, corresponding to less than 2 atomic layers, in the scanning scale of 14 nm. These facts denote that Ni/PEN and <formula formulatype="inline"><tex Notation="TeX">${\rm Ni}_{78}{\rm Fe}_{22}/{\rm PEN}$</tex></formula> are suitable for magnetic electrodes on organic substrates used for SQC devices from the viewpoint of the surface morphology. Then, we have investigated magnetic hysteresis curve and magnetoresistance effects for Ni/PEN and <formula formulatype="inline"><tex Notation="TeX">${\rm Ni}_{78}{\rm Fe}_{22}/{\rm PEN}$</tex></formula>. The squareness of the hysteresis loop is as small as 0.24 for Ni (25 nm)/PEN, where there is no observation of the anisotropy magnetoresistance (AMR) effect. In contrast, the squareness of the hysteresis loop is as large as 0.86 for <formula formulatype="inline"> <tex Notation="TeX">${\rm Ni}_{78}{\rm Fe}_{22}$</tex></formula> (26 nm)/PEN, where the AMR effect has been successfully obtained. These experimental results indicate that <formula formulatype="inline"><tex Notation="TeX">${\rm Ni}_{78}{\rm Fe}_{22}/{\rm PEN}$</tex></formula> is a promising material for use in SQC devices from the viewpoint of not only the surface morphologies but also magnetic properties. </para>
Decision Making in Manufacturing Systems: An Integrated Throughput, Quality and Maintenance Model Using HMM (2008)

The decision making processes in today's manufacturing systems represent very complex and challenging tasks. The desired flexibility in terms of the functionality of a machine adds more components to the machine. The real time monitoring and reporting generates large streams of data. However the intelligent and real time processing of this large collection of system data is at the core of the manufacturing decision support tools. This thesis outlines the use of Frequent Episodes in Event Sequences and Hidden Markov Modeling of throughput, quality and maintenance data to model the deterioration of performance in the components that make up the manufacturing system. The thesis also introduces the concept of decision points and outlines how to integrate the total cost function in a business model. This thesis deals with the following three topics: First, the component-based data structure of the manufacturing system is outlined especially throughput, quality and maintenance data. In this approach, the manufacturing system is considered as a group of components that interact with each other and with raw materials to produce the manufactured product. This interaction creates a considerable amount of data which can be associated with the relevant components of the system. The relations between the manufacturing components are established on a physical and logical basis. The components properties are clearly defined in database tables specifically created for this application. The thesis also discusses the web services in manufacturing systems and the portable technologies used in plant decision support tools. Second, the thesis presents a novel application of Frequent Episodes in Event Sequences to identify patterns in the deterioration of performance in a component using frequent episodes of operational failures, quality failures and maintenance activities. A Hidden Markov Model (HMM) is used to model each deterioration episode to estimate the states of performance and the transition rates between the states. The thesis compares the results generated by this model to other existing models of component performance deterioration while emphasizing the benefits ofthe proposed model through the use of the plant data. Finally the thesis presents a methodology usmg HMM probability distributions and Bayesian Decision theory framework to provide a set of decisions and recommendations under the condition of data uncertainty. The results of this analysis are then integrated in the plant maintenance business model. It is worthwhile mentioning that to develop the techniques and validate the results in this research; a Manufacturing Execution System (MES) was developed to operate in an automotive engine plant. All the data and results in this research are based on the plant data. The MES which was developed in this research provided significant benefits in the plant and was adapted by many other GM plants around the world.
Dynamic scheduling of network updates (2014)

We present Dionysus, a system for fast, consistent network updates in software-defined networks. Dionysus encodes as a graph the consistency-related dependencies among updates at individual switches, and it then dynamically schedules these updates based on runtime differences in the update speeds of different switches. This dynamic scheduling is the key to its speed; prior update methods are slow because they pre-determine a schedule, which does not adapt to runtime conditions. Testbed experiments and data-driven simulations show that Dionysus improves the median update speed by 53--88% in both wide area and data center networks compared to prior methods.
ML-SyPred – Machine Learning Synergy Predictor: A Tool to Predict Drug Combinations (2022)

<title>Abstract</title> Antimicrobial and antiviral resistances are worldwide public health threats, causing treatment failures and increasing morbidity and mortality. Mycobacterium tuberculosis and Plasmodium falciparum, among many others, are examples of multidrug-resistant pathogens requiring combinatorial drug therapy. The use of drug combinations acting in synergy represents an approach to enhance therapy and delay the development of drug resistance. Computational approaches can be used to develop predictive models assessing synergistic drug combinations to reduce the time and cost associated with standard experimental screening. Here, we describe the development of a computational tool (Machine Learning Synergy Predictor - ML-SyPred) that incorporates drug/compound features using machine learning algorithms to predict synergistic drug combinations. Using the ML-SyPred tool, we implemented a synergy predicting method, which includes several Python scriptings to clean and prepare the raw data and convert from the drug's biochemical structure composition to compound fingerprints to use as features. Five Machine Learning algorithms (i.e. Logistic Regression, Random Forest, Support Vector Machine, Ada Boost, and Gradient Boosting) were implemented to build prediction models. Two different biologically validated datasets consisting of 575 antibiotics and 1,054 antimalarials drug combinations were used to test the algorithms implemented. The best prediction models were obtained with the Random Forest algorithm for the antibiotic dataset (0.88 AUC), Logistic Regression for the antimalarial datasets strain Dd2 and HB3 (0.81 and 0.70 AUC, respectively), and Random Forest for the antimalarial datasets strain 3D7 (0.69 AUC). The ML-SyPred tool yielded 45% precision for synergistically predicted antimalarial drug combinations that are annotated and biologically validated, thus confirming the tool’s functionality and applicability. The ML-SyPred tool is available for free use and represents a promising strategy to discover potential drug combinations for further development in novel therapies.
Radiation Effects in Structural Materials (1979)

When energetic particles impinge on a solid, atoms are displaced from their lattice positions. Single or clustered vacant atomic sites are produced and the displaced atoms come to rest in interstitial configurations. The bombarding particles may also induce nuclear transmutations. The initial disturbance of the material is termed radiation damage. At finite temperatures or under continued irradiation the defects migrate; some annihilate and others cluster, both among themselves and with solute atoms. The resulting microstructural changes in the material are more stable than the initial damage and lead to changes in properties termed radiation effects. In particular, changes in dimensions, composition on a microscale, and mechanical properties may be extreme.
Intravenous Ibuprofen Reduces Opioid Consumption During the Initial 48 Hours After Injury in Orthopedic Trauma Patients (2020)

Therapeutic Level I. See Instructions for Authors for a complete description of levels of evidence.
Electrochemical oxidation of 243 Am(III) in nitric acid by a terpyridyl-derivatized electrode (2015)

Selective oxidation of trivalent americium (Am) could facilitate its separation from lanthanides in nuclear waste streams. Here, we report the application of a high-surface-area, tin-doped indium oxide electrode surface-derivatized with a terpyridine ligand to the oxidation of Am(III) to Am(V) and Am(VI) in nitric acid. Potentials as low as 1.8 volts (V) versus the saturated calomel electrode were applied, 0.7 V lower than the 2.6 V potential for one-electron oxidation of Am(III) to Am(IV) in 1 molar acid. This simple electrochemical procedure provides a method to access the higher oxidation states of Am in noncomplexing media for the study of the associated coordination chemistry and, more important, for more efficient separation protocols.
Glucose-Dependent Promoters for Dynamic Regulation of Metabolic Pathways (2018)

For an industrial fermentation process, it can be advantageous to decouple cell growth from product formation. This decoupling would allow for the rapid accumulation of biomass without inhibition from product formation, after which the fermentation can be switched to a mode where cells would grow minimally and primarily act as catalysts to convert substrate into desired product. The switch in fermentation mode should preferably be accomplished without the addition of expensive inducers. A common cell factory <i>Saccharomyces cerevisiae</i> is a Crabtree-positive yeast and is typically fermented at industrial scale under glucose-limited conditions to avoid the formation of ethanol. In this work, we aimed to identify and characterize promoters that depend on glucose concentration for use as dynamic control elements. Through analysis of mRNA data of <i>S. cerevisiae</i> grown in chemostats under glucose excess or limitation, we identified 34 candidate promoters that strongly responded to glucose presence or absence. These promoters were characterized in small-scale batch and fed-batch cultivations using a quickly maturing rapidly degrading green fluorescent protein yEGFP3-Cln2<sub>PEST</sub> as a reporter. Expressing 3-hydroxypropionic acid (3HP) pathway from a set of selected regulated promoters allowed for suppression of 3HP production during glucose-excess phase of a batch cultivation with subsequent activation in glucose-limiting conditions. Regulating the 3HP pathway by the <i>ICL1</i> promoter resulted in 70% improvement of 3HP titer in comparison to <i>PGK1</i> promoter.
Akteonline-an electronic healthcare record as a medium for information and communication. (2002)

The functionality of a personal Electronic Healthcare Record (EHR) may vary from a simple web-based interface for interactive data entry and data review up to a much more powerful system additionally supporting electronic data/document communication between clinical information systems of primary care practitioners or hospitals and even reminder based support for the empowered citizen, to actively take care of his health, based on relevant disease management programs. It is one means to support patient empowerment. Since storage and communication of data in an EHR comprises sensible personal health data, each of those functions need specific security and access management requirements to be considered and implemented.
Impact on circuit performance of deterministic within-die variation in nanoscale semiconductor manufacturing (2006)

As semiconductor technology advances into the nanoscale era and more functional blocks are added into systems-on-chip, the interface between circuit design and manufacturing is becoming blurred. An increasing number of features, traditionally ignored by designers, are influencing both circuit performance and yield. As a result, design tools need to incorporate new factors. One important source of circuit-performance degradation comes from deterministic within-die variation from lithography imperfections and Cu-interconnect chemical-mechanical polishing (CMP). To determine how these within-die variations impact circuit performance, we need a new analysis tool. Thus, we have proposed a methodology to involve layout-dependent within-die variations in static timing analysis. Our methodology combines a set of scripts and commercial tools to analyze a full chip. The tool has been applied to analyze delay of ISCAS85 benchmark circuits in the presence of imperfect lithography and CMP variation
Corrosion resistance of 2024 aluminum alloy coated with plasma deposited a-C:H:Si:O films (2014)

AA 2024 aluminum alloy is widely employed in aeronautic and automobilist industries. Its hardness and low density are attractive properties for such industrial areas. However, since it contains copper, it undergoes severe corrosion in aggressive media as saline or low Earth orbit environments. In this work, it was investigated the properties of films deposited by PECVD on AA 2024 aluminum alloy as well as the corrosion resistance of the film/substrate systems under different corrosive atmospheres. Films were prepared in a plasma atmosphere composed of 50% of oxygen and 50% of hexamethyldisiloxane resulting in a total gas pressure of 4.0 Pa. Plasma ignition was promoted by the application of radiofrequency signal (13.56 MHz) to the sample holder while grounding the topmost electrode. The plasma excitation power, P, was changed from 10 to 80 W in the six different set of experiments. Film thickness, measured by profilometer, increases by 5 times as P was elevated from 10 to 80 W. As demonstrated by the infrared spectra of the samples, films are essentially organosilicons with preservation of functional groups of the precursor molecule and with creation of different ones. The oxide proportion and the structure crosslinking degree are affected by the plasma excitation power. According to the results obtained by sessile drop technique, hydrophilic to moderately hydrophobic films are produced with changing P from 10 to 80 W. The corrosion resistance, evaluated by salt spray and electrochemical impedance spectroscopy, EIS, experiments, in general increases after film deposition. It is demonstrated that film deposition improves, in up to 36 times, the resistance of the alloy to salt spray attack. It is also shown an improvement of about 240 times in the alloy resistance under NaCl solution by the EIS data. Micrographs acquired by Scanning Electron Microscopy after the corrosion tests furnish further information on the importance of the layer physical stability on its barrier properties. Furthermore, films highly protect the alloy against the oxygen attack. Interpretations are proposed based on the modification of the plasma kinetics with P, altering film structure, composition and properties.
VEHICLE DETECTION - PHASE III. PASSIVE BUS DETECTOR/INTERSECTION PRIORITY SYSTEM DEVELOPMENT. VOLUME II. PART 1. APPENDIXES A, B, AND C-COMPUTER PROGRAM DOCUMENTATION (1975)

The volume contains the description of the software developed for the Passive Bus Detector/Intersection Priority System. The program documentation is formatted according to the Program Documentation section of the FHWA Documentation Standards. The computer program documentation is referenced in other volumes of this report as the following appendices: Appendix A. Fortran IV Version of the Vehicle Classification Algorithm; Appendix B. BPCU Program for Minneapolis Installation; Appendix C. BPCU Program for Washington Installation. Appendix C is to be treated as an addendum to Appendix B and contains documentation of only those modules which are different from the Minneapolis Installation program in Appendix B. Appendix D, Software and Computer Printouts, is presented separately as Part II of this volume.
Ranking absorption practices of knowledge for collaborative innovation : which is the Ideal multi criteria decision method (2019)

International audience