gebhart/patrepeval huggingface dataset:
Revisiting the Electronic Structure of Cobalt Porphyrin Nitrene and Carbene Radicals with NEVPT2-CASSCF Calculations: Doublet versus Quartet Ground States (2021)

Cobalt porphyrin complexes are established catalysts for carbene and nitrene radical group-transfer reactions. The key carbene and mono- and bisnitrene radical complexes coordinated to [Co(TPP)] (TPP = tetraphenylporphyrin) have previously been investigated with a variety of experimental techniques and supporting (single-reference) density functional theory (DFT) calculations that indicated doublet (<i>S</i> = <sup>1</sup>/<sub>2</sub>) ground states for all three species. In this contribution, we revisit their electronic structures with multireference N-electron valence state perturbation theory (NEVPT2)-complete-active-space self-consistent-field (CASSCF) calculations to investigate possible multireference contributions to the ground-state wave functions. The carbene (<b>[Co</b><sup><b>III</b></sup><b>(TPP)(</b><sup><b>•</b></sup><b>CHCO</b><sub><b>2</b></sub><b>Et)]</b>) and mononitrene (<b>[Co</b><sup><b>III</b></sup><b>(TPP)(</b><sup><b>•</b></sup><b>NNs)]</b>) radical complexes were confirmed to have uncomplicated doublet ground states, although a higher carbene or nitrene radical character and a lower Co-<i>C</i>/<i>N</i> bond order was found in the NEVPT2-CASSCF calculations. Supported by electron paramagnetic resonance analysis and spin counting, paramagnetic molar susceptibility determination, and NEVPT2-CASSCF calculations, we report that the cobalt porphyrin bisnitrene complex (<b>[Co</b><sup><b>III</b></sup><b>(TPP</b><sup><b>•</b></sup><b>)(</b><sup><b>•</b></sup><b>NNs)</b><sub><b>2</b></sub><b>]</b>) has a quartet (<i>S</i> = <sup>3</sup>/<sub>2</sub>) spin ground state, with a thermally accesible multireference and multideterminant "broken-symmetry" doublet spin excited state. A spin flip on the porphyrin-centered unpaired electron allows for interconversion between the quartet and broken-symmetry doublet spin states, with an approximate 10-fold higher Boltzmann population of the quartet at room temperature.
ChemInform Abstract: PYRIMIDIN‐DERIVATE UND VERWANDTE VERBINDUNGEN 66. MITT. RK. VON DIALKYLACYLPHOSPHONATEN MIT 1,3,4‐THIADIAZOLIUMSALZ‐DERIVATEN (1970)

Abstract Die Thiadiazole (I) wurden mit den Alkylhalogeniden (II) quatemisiert zu den Thiazoliumsalzen (III), die mit den Dialkylacylphosphonaten (IV) in Gegenwart von Triäthylamin umgesetzt wurden zu den Thiadiazinen (V).
Combining affinity purification by ADP-ribose-binding macro domains with mass spectrometry to define the mammalian ADP-ribosyl proteome (2009)

Mono-ADP-ribosylation is a reversible posttranslational modification that modulates the function of target proteins. The enzymes that catalyze this reaction in mammalian cells are either bacterial pathogenic toxins or endogenous cellular ADP-ribosyltransferases. For the latter, both the enzymes and their targets have largely remained elusive, mainly due to the lack of specific techniques to study this reaction. The recent discovery of the macro domain, a protein module that interacts selectively with ADP-ribose, prompted us to investigate whether this interaction can be extended to the identification of ADP-ribosylated proteins. Here, we report that macro domains can indeed be used as selective baits for high-affinity purification of mono-ADP-ribosylated proteins, which can then be identified by mass spectrometry. Using this approach, we have identified a series of cellular targets of ADP-ribosylation reactions catalyzed by cellular ADP-ribosyltransferases and toxins. These proteins include most of the known targets of ADP-ribosylation, indicating the validity of this method, and a large number of other proteins, which now need to be individually validated. This represents an important step toward the discovery of new ADP-ribosyltransferase targets and an understanding of the physiological role and the pharmacological potential of this protein modification.
A RETROSPECTIVE COHORT STUDY OF PROGNOSTIC FACTORS ASSOCIATED WITH OUTCOME IN PEDIATRIC SEVERE SEPSIS: WHAT IS THE ROLE OF STEROIDS? (2004)

Markovitz, Barry P.; Goodman, Denise M.; Watson, R Scott; Bertoch, David; Zimmerman, JerryAuthor Information
Intein‐Mediated Construction of a Library of Fluorescent Rab GTPase Probes (2011)

Rab GTPases play a key role in the regulation of membrane trafficking. Post-translational geranylgeranylation is critical for their biological activity and is conferred by Rab geranylgeranyl transferease (RabGGTase), together with an accessory factor, Rab escort protein (REP). Mechanistic studies of Rab prenylation and identification of RabGGTase inhibitors require sensitive reporters of Rab prenylation. In the present work, a combination of protein engineering and expressed protein ligation was used to construct a library of semisynthetic Rab7 fluorescent conjugates. In order to avoid synthesis of a large number of fluorescently labeled peptides, we developed a strategy that combined thiol-reactive dye-labeling of cysteine with in vitro protein ligation. Application of this strategy required optimization of labeling and ligation conditions to promote thiol labeling and disfavor intramolecular cyclization. Using this approach, we constructed 46 fluorescent sensors with different spectral properties that reported on the interaction of Rab7 with RabGGTase, REP-1, and the overall prenylation reaction. Two constructs, Rab7Δ3CCK(NBD) and Rab7Δ2SCCC-dans, displayed 2.5- and 1.5-fold increase in fluorescence, respectively, upon prenylation. Moreover, dansyl-, NBD (4-nitro-benzofurazan)-, I-BA-, and I-SO-labeled Rab7 conjugates exhibited two- to tenfold change in fluorescence upon binding to REP or RabGGTase. These fluorescent sensors allowed us to monitor Rab prenylation in real time and to investigate the assembly of Rab-REP binary and Rab-REP-RabGGTase ternary complexes.
Micromachining of Optical Fiber by Reactive Ion Etching. (2000)

Micromachining of an optical fiber was carried out in CF4 plasma by reactive ion etching (RIE) system consisting of two parallel-plate electrodes and a rotary motion feedthrough. The cathode was powered by a rf generator at 13.56 MHz and was covered with a quartz plate in order to prevent sputtering of nonvolatile compounds from the cathode. During the etching, the rotation of the optical fiber could be controlled from outside the vacuum chamber. The diameter of the etched optical fiber was reduced from 125 pm to 50 pm by RIE for 8 hours under the condition of 13 Pa pressure and 150 W rf power. The other processes such as the sharpening of the fiber tip were also described.
[Ectopic parathyroid gland discovered at physical examination]. (1994)

Description d'un cas de glande parathyroide ectopique decouverte a l'examen physique apres echec des epreuves de localisation classiques (echographie cervicale, tomographie computerisee, scintigraphie au thallium-technetium) chez un insuffisant renal
Gas Deposition Apparatus Using Nanoparticles as Coating and Those Applications (2007)

This paper introduces dry film fabrication systems, i.e., Gas Deposition(GD) system and Aerosol Gas Deposition(AGD)system, and their applied fields. Nanoparticles of inorganic materials can be formed by the gas evaporation method(the gas condensation method) . In gas deposition method, particles formed by the gas evaporation method in an evaporation chamber are transported to another chamber(a deposition chamber)through a transfer pipe. Particles are accelerated in the pipe with a gas flow and ejected through a nozzle to form a film in the deposition chamber which is evacuated at a pressure lower than 1 kPa. With the aerosol gas deposition method, particles formed elsewhere are dispersed into a gas flow and ejected through a wide nozzle to form films. Ceramics particles are deposited on a substrate, forming a high density film with a strong adhesion under a room temperature condition.
<title>Monopulse elevation discrimination experiments in low-angle multipath</title> (1998)

Tracking a low-altitude target in elevation is difficult when both direct and reflected radar returns originate within the main beam of the interrogating radar. In such conditions, a conventional monopulse radar is subjected to increased angle noise and bias error in elevation. This is a long-standing, unsolved (in a practical sense) problem in low-elevation target tracking. A novel application of a target extent estimator ('C<SUP>2</SUP>') has recently been shown theoretically capable of mitigating both specular and diffuse multipath interference in low-elevation tracking situations. Under Navy Phase II SBIR funding, ORINCON, Signalogic and TRW have collaboratively investigated the application of this technology by processing data collected during X-band experiments on real targets in low-level flight at NAWCWPNS, Point Mugu in early 1998. We describe the design and performance of these flight test experiments and summarize the salient off-line signal processing results, which demonstrated reliable elevation tracking in the horizon region with rms errors typically on the order of one-twentieth of a beamwidth. We conclude with a discussion of areas for future research and development of this technology.
A Distributed Approximation Algorithm for Mixed Packing-Covering Linear Programs (2013)

Mixed packing-covering linear programs capture a simple but expressive subclass of linear programs. They commonly arise as linear programming relaxations of a number important combinatorial problems, including various network design and generalized matching problems. In this paper, we propose an efficient distributed approximation algorithm for solving mixed packing-covering problems which requires a poly-logarithmic number of passes over the input. Our algorithm is well-suited for parallel processing on GPUs, in shared-memory architectures, or on small clusters of commodity nodes. We report results of a case study for generalized bipartite matching problems. 1
Crypt-DAC: Cryptographically Enforced Dynamic Access Control in the Cloud (2019)

Enabling cryptographically enforced access controls for data hosted in untrusted cloud is attractive for many users and organizations. However, designing efficient cryptographically enforced dynamic access control system in the cloud is still challenging. In this paper, we propose Crypt-DAC, a system that provides practical cryptographic enforcement of dynamic access control. Crypt-DAC revokes access permissions by delegating the cloud to update encrypted data. In Crypt-DAC, a file is encrypted by a symmetric key list which records a file key and a sequence of revocation keys. In each revocation, a dedicated administrator uploads a new revocation key to the cloud and requests it to encrypt the file with a new layer of encryption and update the encrypted key list accordingly. Crypt-DAC proposes three key techniques to constrain the size of key list and encryption layers. As a result, Crypt-DAC enforces dynamic access control that provides efficiency, as it does not require expensive decryption/re-encryption and uploading/re-uploading of large data at the administrator side, and security, as it immediately revokes access permissions. We use formalization framework and system implementation to demonstrate the security and efficiency of our construction.
ChemInform Abstract: One‐Component Catalysts for Cyclic Carbonate Synthesis. (2009)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Association Between Early Hyperoxia and Worse Outcomes After Traumatic Brain Injury (2012)

OBJECTIVE To investigate the relationship between oxygenation and short-term outcomes in patients with traumatic brain injury (TBI). DESIGN Logistic regression analysis was used to determine whether average high (&gt;200 mm Hg) or low (&lt;100 mm Hg) PaO2 levels within the first 24 hours of hospital admission correlated with patient outcomes relative to patients with average PaO2 levels between 100 and 200 mm Hg. SETTING Level 1 trauma center. PATIENTS We retrospectively reviewed 1547 consecutive patients with severe TBI who survived past 12 hours after hospital admission. MAIN OUTCOME MEASURES We measured mortality, intensive care unit length of stay, hospital length of stay, and discharge Glasgow Coma Scale (GCS) score. RESULTS Of the 1547 patients, 77% were male and 89% sustained blunt trauma. Mean (SD) age, admission GCS score, and Injury Severity Score were 41.3 (20.6) years, 8.3 (4.7), and 31.9 (12.5), respectively. Mean (SD) intensive care unit length of stay and hospital length of stay were 8.7 (10.5) days and 13.8 (13.7) days, respectively. Mean (SD) discharge GCS score was 10.1 (4.7). The mortality rate was 28%. After controlling for age, sex, Injury Severity Score, mechanism of injury, and admission GCS score, patients with high PaO2 levels had significantly higher mortality and lower discharge GCS scores than patients with a normal PaO2 (P &lt; .05). Patients with low PaO2 levels also had increased mortality (P &lt; .05). CONCLUSIONS Hyperoxia within the first 24 hours of hospitalization is associated with worse short-term functional outcomes and higher mortality after TBI. Although the mechanism for this has not been completely elucidated, it may involve hyperoxia-induced oxygen-free radical toxicity with or without vasoconstriction. Hyperoxia and hypoxia were found to be equally detrimental to short-term outcomes in patients with TBI. A narrower therapeutic window for oxygenation may improve mortality and functional outcomes.
Optimized Energy Consumption for Slotted Aloha and CSMA/CA Multihop Ad Hoc Networks (2020)

Ad hoc and wireless sensor networks are characterized by their ability to monitor phenomena in the most adverse scenarios. However, to perform well, these networks need to be self-adjusting and save energy. In general, these networks operate without human interference and require strategies to provide longer operating life. This paper investigates the energy consumption in a random multihop ad hoc network, comparing the slotted Aloha with the CSMA/CA (Carrier Sense Multiple Access with Collision Avoidance) implemented in the IEEE 802.11 Distributed Coordination Function (DCF) as medium access control (MAC) protocols. We obtain the optimal transmission power as a function of physical and link layers parameters which results the optimized energy consumption per successfully transmitted bit. In this paper, we find that there are values of these parameters that can be used to extend the battery life of wireless communication devices comparing the Aloha and CSMA/CA performance.
Recent insights into the biological functions of liver fatty acid binding protein 1 (2015)

Over four decades have passed since liver fatty acid binding protein (FABP)1 was first isolated. There are few protein families for which most of the complete tertiary structures, binding properties, and tissue occurrences are described in such detail and yet new functions are being uncovered for this protein. FABP1 is known to be critical for fatty acid uptake and intracellular transport and also has an important role in regulating lipid metabolism and cellular signaling pathways. FABP1 is an important endogenous cytoprotectant, minimizing hepatocyte oxidative damage and interfering with ischemia-reperfusion and other hepatic injuries. The protein may be targeted for metabolic activation through the cross-talk among many transcriptional factors and their activating ligands. Deficiency or malfunction of FABP1 has been reported in several diseases. FABP1 also influences cell proliferation during liver regeneration and may be considered as a prognostic factor for hepatic surgery. FABP1 binds and modulates the action of many molecules such as fatty acids, heme, and other metalloporphyrins. The ability to bind heme is another cytoprotective property and one that deserves closer investigation. The role of FABP1 in substrate availability and in protection from oxidative stress suggests that FABP1 plays a pivotal role during intracellular bacterial/viral infections by reducing inflammation and the adverse effects of starvation (energy deficiency).
Modulation of horizontal cell function by GABAA and GABAC receptors in dark- and light-adapted tiger salamander retina (1999)

The physiological function of GABA transporters and GABA receptors in retinal horizontal cells (HCs) under dark-and light-adapted conditions were studied by whole-cell voltage clamp and intracellular recording techniques in retinal slices and whole-mounted isolated retinas of the larval tiger salamander. Puff application of GABA in picrotoxin elicited a NO-711 (a potent GABA transporter blocker)-sensitive inward current that did not exhibit a reversal potential in the physiological range, consistent with the idea that these HCs contain electrogenic GABA transporters. Application of GABA in NO-711 elicited a chloride current in HCs; about half of the current was suppressed by bicuculline or I4AA (a GABA(C) receptor antagonist), and the remaining half was suppressed by bicuculline + I4AA or picrotoxin. In whole-mount retinas, NO-711, bicuculline, I4AA, or picrotoxin hyperpolarized the HCs and enhanced the light responses under dark-adapted conditions, and blocked the time-dependent recovery of HC membrane potential and light responses during background illumination. Based on the parallel conductance model, GABA released in darkness mediates a chloride conductance about three times greater than the leak conductance or the glutamate-gated cation conductance. About half of this chloride conductance is mediated by GABA(A) receptors, and the other half is mediated by GABA(C) receptors. These results suggest that GABA released from HCs through the NO-711-sensitive GABA transporters activates GABA(A) and GABA(C) receptors, resulting in chloride conductance increase which leads to a HC depolarization and reduction of the light response. Additionally, GABA transporters also mediate GABA release in background light that is responsible for the recovery of HC membrane potential and light responses.
Toxicity of indoxacarb and spinosad to the multicolored Asian lady beetle, Harmonia axyridis (Coleoptera: Coccinellidae), via three routes of exposure (2006)

The use of selective insecticides may improve conservation of natural enemies and therefore contribute to the success of integrated pest management (IPM) programs. In this study, the toxicity of two commonly used selective insecticides, indoxacarb and spinosad, to the multicolored Asian lady beetle, Harmonia axyridis (Pallas), was evaluated. Third instars and adults of H. axyridis were exposed to indoxacarb at 50 and 100% of the field rate (FR), to spinosad at 100% FR and to water (untreated check) under laboratory conditions via three routes of exposure. Treatments were applied directly on insects (i.e., topical application), on Petri dishes (i.e., residues), or on soybean aphids, Aphis glycines Matsumara (i.e., treated prey). Mortality of exposed individuals in each life stage was recorded 2 and 7 days after treatment. Logistic regression indicated that indoxacarb at 100% FR, followed by indoxacarb at 50% FR, was more insecticidal than spinosad to third instars. Mortality was higher when H. axyridis were exposed to both insecticides via residues followed by treated prey. Indoxacarb at 100 or 50% FR was insecticidal to adults. Adults were tolerant to spinosad via all routes of exposure. The present results suggest that indoxacarb may decrease H. axyridis field populations by causing mortality to larvae and adults via all routes of exposure. Implications of the toxicity of indoxacarb to H. axyridis within an IPM context and possible reasons for the differences in susceptibility of H. axyridis for each route of exposure are discussed.
The Incidence of Phthisis Bulbi as a Complication of Cataract Surgery in the Congenital Rubella Syndrome (1972)

International Ophthalmology Clinics is a valuable resource for any medical professional seeking to stay informed and up-to-date regarding developments in this dynamic specialty. Each issue of this quarterly publication presents a comprehensive review of a single topic in a new or changing area of ophthalmology. The timely, tightly focused review articles found in this publication give ophthalmologists the opportunity to benefit from the knowledge of leading experts in this rapidly changing field.
Adaptive modulation for fading channels (1998)

In future packet based wireless communication systems, transmission in the downlink will often dominate the traffic load. High bit-rate applications like WWW-browsing, file transfer, and full motion video will impose strong requirements on the system capacity. An obstacle in this context is the time-variability of the channel: For mobile users, frequently occuring fading dips will cause unnecessary, and capacity degrading, retransmissions. To achieve a high throughput also over fading channels, adaptive methods for adjustment of e.g. the modulation alphabet, and the coding complexity, can be used. The idea is to make efficient use of the bits: Whenever channel conditions are adequate, transmission of redundant bits should be avoided. In this paper we shall investigate the effect of adaptive modulation in a scenario involving one mobile and one base station. INTRODUCTION Fading channels confront us with the problem of lost packets and the need for frequent retransmissions. One strategy...
Schildschwanzdichtung, Verpress‐ und Injektionsverfahren (2011)

Dieses Kapitel beinhaltet: Schildschwanzdichtungen Verpressverfahren Injektionsverfahren zur Baugrundverbesserung
Oxonol dyes (2021)

Abstract Oxonol dyes are classified as anionic polymethine dyes, which cover a wide variety of structural types. The name of the class originates from the oxygen atoms which terminate each end of the polymethine chains that form the backbone of their structure. In technically useful dyes, these oxygen atoms tend to be substituents of heterocycles. The main technical application of water soluble oxonol dyes was in silver halide photography as filter dyes and antihalation dyes. Lipophilic oxonol dyes are used in bio-analysis and medical diagnostics to stain cells, bacteria or liposomes for example. Their main bioanalytical usage is in the determination of membrane potentials in eukaryotic cells and prokaryotic bacteria.
An intelligent BiCMOS/DMOS quad 1-A high-side switch (1990)

A fully protected quad high-side DMOS switch has been realized using a BiCMOS/DMOS process. A bipolar multiplier cell calculates and limits instantaneous power dissipated by each 0.8- Omega DMOS power switch to 13 W. The integrated circuit shuts down to protect itself if a safe temperature or operating voltage is exceeded. A thermal warning is provided when the junction temperature rises to within 20 degrees C of the shutdown temperature such that an orderly system turn-off occurs. A serial output data pin reports status information including channel on/off, open and shorted load faults, warning and shutdown temperatures, and an overvoltage condition. The circuit withstands a supply voltage of 60 V and operates from 6 to 32 V. The IC can be permanently connected to the power while drawing no DC current in the standby mode. The device fits into a 20-pin dual-in-line package having the die-attach paddle and the center four pins of the lead frame being a continuous strip of metal providing a low thermal resistance path from which to extract heat from the output switches.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>