gebhart/patrepeval huggingface dataset:
O-Benzyl Xanthate Esters under Ni/Photoredox Dual Catalysis: Selective Radical Generation and Csp3–Csp2 Cross-Coupling (2017)

Alkyl xanthate esters are perhaps best known for their use in deoxygenation chemistry. However, their use in cross-coupling chemistry has not been productive, which is due, in part, to inadequate xanthate activation strategies. Herein, we report the use of <i>O</i>-benzyl xanthate esters, readily derived from alcohols, as radical pronucleophiles in Csp<sup>3</sup>-Csp<sup>2</sup> cross-couplings under Ni/photoredox dual catalysis. Xanthate (C-O) cleavage is found to be reliant on photogenerated (<i>sec</i>-butyl) radical activators to form new carbon-centered radicals primed for nickel-catalyzed cross-couplings. Mechanistic experiments support the fact that the key radical components are formed independently, and relative rates are carefully orchestrated, such that no cross reactivity is observed.
Charge‐Transport Properties of F6TNAP‐Based Charge‐Transfer Cocrystals (2019)

Abstract The crystal structures of the charge‐transfer (CT) cocrystals formed by the π‐electron acceptor 1,3,4,5,7,8‐hexafluoro‐11,11,12,12‐tetracyanonaphtho‐2,6‐quinodimethane (F 6 TNAP) with the planar π‐electron‐donor molecules triphenylene (TP), benzo[ b ]benzo[4,5]thieno[2,3‐ d ]thiophene (BTBT), benzo[1,2‐ b :4,5‐ b ′]dithiophene (BDT), pyrene (PY), anthracene (ANT), and carbazole (CBZ) have been determined using single‐crystal X‐ray diffraction (SCXRD), along with those of two polymorphs of F 6 TNAP. All six cocrystals exhibit 1:1 donor/acceptor stoichiometry and adopt mixed‐stacking motifs. Cocrystals based on BTBT and CBZ π‐electron donor molecules exhibit brickwork packing, while the other four CT cocrystals show herringbone‐type crystal packing. Infrared spectroscopy, molecular geometries determined by SCXRD, and electronic structure calculations indicate that the extent of ground‐state CT in each cocrystal is small. Density functional theory calculations predict large conduction bandwidths and, consequently, low effective masses for electrons for all six CT cocrystals, while the TP‐, BDT‐, and PY‐based cocrystals are also predicted to have large valence bandwidths and low effective masses for holes. Charge‐carrier mobility values are obtained from space‐charge limited current (SCLC) measurements and field‐effect transistor measurements, with values exceeding 1 cm 2 V −1 s 1 being estimated from SCLC measurements for BTBT:F 6 TNAP and CBZ:F 6 TNAP cocrystals.
ChemInform Abstract: Synthesis of 4a‐Hydroxytetrahydropterins and the Mechanism of Their Nonenzymatic Dehydration to Quinoid Dihydropterins. (1996)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 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.
Enhancing the Light Harvesting Capability of a Photosynthetic Reaction Center by a Tailored Molecular Fluorophore (2012)

Light machine: The simplest photosynthetic protein able to convert sunlight into other energy forms is covalently functionalized with a tailored organic dye to obtain a fully functional hybrid complex that outperforms the natural system in light harvesting and conversion ability.
Effect of Cobalt Substitution on Li3–2xCoxN Local Structure: A XAS Investigation (2014)

The influence of cobalt substitution on the local structural changes around Co atoms in the layered lithium nitridocobaltates Li(3-2x)Co(x)N for 0.05 ≤ x ≤ 0.44 is investigated using Co K-edge X-ray absorption spectroscopy (EXAFS and XANES). The Co-N bond length in Li(3-2x)Co(x)N compounds is obtained vs x by performing EXAFS fitting and found to be shorter (1.80 Å) than for x = 0 (Li3N), and its value does not change with x. A comparison of EXAFS data with XRD results is discussed. We show that the continuous decrease of interlayer distance versus Co content (x), described from XRD data, accounts for an average of the Co-N and Li-N distances, weighted by the number of these bond lengths. In addition, the present work supports the proposal that the Li1b-N bonds contract with x due to a significant increase of Coulombic attractive forces locally induced by the progressive Li(+)/Co(2+) substitution. XRD studies suggested that divalent Co ions bond to two nitrogen in Li(3-2x)Co(x)N. Although additional works are still needed to prove its valence, the present XAFS findings complements the local structure found by XRD, in good accord with the electrochemical properties previously reported.
Sensory Reinnervation of Autologous Tissue TRAM Flaps After Breast Reconstruction (1997)

The use of the transverse rectus abdominis musculocutaneous (TRAM) flap has come to the forefront for breast reconstruction following mastectomy. Despite our ability to create surgically a supple breast mound, simulate the nipple with local skin flaps, and pigment the skin to create an areola, one of the last drawbacks has been the reestablishment of normal sensation. Some patients have anecdotally reported some sensory return in the reconstructed breast mound. We sought to quantitate the pattern of sensory return in TRAM flaps in 24 patients to identify factors that favor sensory reinnervation of the flap. Patients were recalled for sensory testing after unilateral or bilateral breast reconstruction following mastectomy for cancer or premalignant mastopathy. The interval from surgery varied from 3 to 41 months. Sensation was evaluated using the Semmes-Weinstein monofilament test, hot/cold recognition, and vibratory sensation measured in 16 segments of the reconstructed breast mound and compared to the opposite, unoperated breast or to volunteer controls. Thirty-four flaps were evaluated. The Semmes-Weinstein measurements demonstrated measurable sensation in 32 of 34 flaps with 2 flaps developing sensation equal to the control unoperated breast. The return of hot recognition occurred in 21 of 34 flaps, cold recognition in 22 of 34 flaps, and vibratory sensation in 26 of 34 flaps. Our findings suggest that excellent sensory return occurs in the majority of patients via nerve ingrowth into the flap from the mastectomy bed. It would appear that a natural breast reconstruction with some sensation can be a reality for the majority of patients in the absence of additional complex surgical maneuvers such as nerve preservation or nerve-nerve coaptation.
Female-to-male transmission of human immunodeficiency virus (1991)

<h3>Objective.</h3> —To examine rates of heterosexual transmission of human immunodeficiency virus (HIV) and associated risk factors and to determine the relative efficiency of female-to-male and male-to-female transmission. <h3>Design.</h3> —Survey of infected individuals and their heterosexual partners recruited since 1985. <h3>Setting.</h3> —Participants were recruited from various HIV counseling and testing sites throughout California but were generally interviewed and tested in their homes. <h3>Participants.</h3> —Data from 379 couples at entry to the study are reported: 72 male partners of infected women and 307 female partners of infected men. The infected index case had a well-established source of risk; couples were eliminated if the direction of transmission could not be established. The majority of couples were monogamous since 1978, white, and in their 30s. Most partners did not know their serostatus at entry into the study. <h3>Main Outcome Measure.</h3> —HIV serostatus in the exposed sexual partner. <h3>Results.</h3> —We observed one probable instance (1%) of female-to-male transmission compared with 20% transmission rates in the female partners of infected men. All couples were sampled in the same way. Male index cases were more likely to be symptomatic than female index cases. <h3>Conclusion.</h3> —The odds of male-to-female transmission were significantly greater than female-to-male transmission. The one case of female-to-male transmission was unique in that the couple reported numerous unprotected sexual contacts and noted several instances of vaginal and penile bleeding during intercourse. (JAMA. 1991;266:1664-1667)
Detailed Visualization of the Anterior Segment Using Fourier-Domain Optical Coherence Tomography (2008)

Anterior segment Fourier-domain optical coherence tomography permits detailed noncontact imaging of the angle and its structures, providing a tool to improve our understanding of the pathogenesis of narrow-angle glaucoma.
Phase I Clinical Trial of the Wee1 Inhibitor Adavosertib (AZD1775) with Irinotecan in Children with Relapsed Solid Tumors: A COG Phase I Consortium Report (ADVL1312) (2019)

Adavosertib (85 mg/m<sup>2</sup>) in combination with irinotecan (90 mg/m<sup>2</sup>) administered orally for 5 days was the MTD in children and adolescents with solid and CNS tumors.
A Production Scheduling Problem in the Glass-Container Industry (1979)

By means of a computer simulation we examine the problem of scheduling parallel production lines in the glass-container industry with a resource constraint imposed by the furnace melting rate. The results of the simulation model are combined with relevant aspects of scheduling theory to arrive at the conclusion that a shortest processing time based dispatching rule probably provides the most efficient operating policy.
Extending platform-based design to network on chip systems (2003)

Exploitation of silicon capacity will require improvements in design productivity and more scalable system paradigms. Asynchronous message passing networks on chip (NOC) have been proposed as backbones for billion-transistor ASICs. We present a novel layered backbone-platform-system (BPS) design methodology for development of network-on-chip based products. It combines and extends the distributed, parallel, embedded and platform-based design concepts in order to manage the diversity and complexity of NOC-based systems. The reuse of communication principles in various platforms, the reuse of platforms in product differentiation, and system-level decision-support methods are the cornerstones of our methodology. The presented mappability estimation and workload simulations demonstrate the feasibility of such methods.
Enhancement of the Stability of Genetic Switches by Overlapping Upstream Regulatory Domains (2004)

We study genetic switches formed from pairs of mutually repressing operons. The switch stability is characterized by a well-defined lifetime, which grows very rapidly, albeit subexponentially, with the number of copies of the most-expressed transcription factor. The switch stability can be drastically enhanced by overlapping the upstream regulatory domains such that competing regulatory molecules mutually exclude each other. Our results suggest that robustness against biochemical noise can provide a selection pressure that drives operons together in the course of evolution.
Immersive Collaborative Analysis of Network Connectivity: CAVE-style or Head-Mounted Display? (2016)

High-quality immersive display technologies are becoming mainstream with the release of head-mounted displays (HMDs) such as the Oculus Rift. These devices potentially represent an affordable alternative to the more traditional, centralised CAVE-style immersive environments. One driver for the development of CAVE-style immersive environments has been collaborative sense-making. Despite this, there has been little research on the effectiveness of collaborative visualisation in CAVE-style facilities, especially with respect to abstract data visualisation tasks. Indeed, very few studies have focused on the use of these displays to explore and analyse abstract data such as networks and there have been no formal user studies investigating collaborative visualisation of abstract data in immersive environments. In this paper we present the results of the first such study. It explores the relative merits of HMD and CAVE-style immersive environments for collaborative analysis of network connectivity, a common and important task involving abstract data. We find significant differences between the two conditions in task completion time and the physical movements of the participants within the space: participants using the HMD were faster while the CAVE2 condition introduced an asymmetry in movement between collaborators. Otherwise, affordances for collaborative data analysis offered by the low-cost HMD condition were not found to be different for accuracy and communication with the CAVE2. These results are notable, given that the latest HMDs will soon be accessible (in terms of cost and potentially ubiquity) to a massive audience.
Front Cover: Macromol. Rapid Commun. 3/2007 (2007)

Front Cover: The cover picture shows the structure of fluoride hyperbranched polyimide (CF 3 ‐HBPI). In the system of the CF 3 ‐HBPI, a new triamine monomer was synthesized, whose structure is shown on the left. The molecular structures of ‐CF 3 terminal monomer, the new triamine and the 6FDA are shown at the bottom. The scheme of CF 3 ‐HBPI can be seen on the right. Further details can be found in the article by H. Gao, D. Wang, S. Guan, W. Jiang, Z. Jiang, * W. Gao, and D. Zhang on page 252.
Activity of Oxygen on HZSM-5 Type Zeolite in Oxidation of Benzene and Its Derivatives (2021)

The oxidation of benzene, fluorobenzene, chlorobenzene, and phenol in the presence of O2 and N2O on HZSM-5 type zeolite with Si/Al = 24 was studied by EPR spectroscopy. It was shown that the thermal decomposition of nitrous oxide on zeolite forms molecular and chemisorbed atomic oxygen. It was found that the catalytic oxidation of benzene, fluorobenzene, chlorobenzene, and phenol under the action of О2 and N2O proceeds at Lewis acid sites and leads to the formation of phenoxyl radical cations with characteristic g factors and hyperfine structure of the EPR spectrum.
Injury prediction expertise: Cognitive-perceptual mechanisms of ACL-IQ. (2015)

Instrument-based biomechanical movement analysis is an effective injury screening method but relies on expensive equipment and time-consuming analysis. Screening methods that rely on visual inspection and perceptual skill for prognosticating injury risk provide an alternative approach that can significantly reduce cost and time. However, substantial individual differences exist in skill when estimating injury risk performance via observation. The underlying perceptual-cognitive mechanisms of injury risk identification were explored to better understand the nature of this skill and provide a foundation for improving performance. Quantitative structural and process modeling of risk estimation indicated that superior performance was largely mediated by specific strategies and skills (e.g., irrelevant information reduction), and independent of domain-general cognitive abilities (e.g., mental rotation, general decision skill). These cognitive models suggest that injury prediction expertise (i.e., ACL-IQ) is a trainable skill, and provide a foundation for future research and applications in training, decision support, and ultimately clinical screening investigations
Conjunctival hyperaemia in non‐contact lens wearers (1991)

Conjunctival hyperaemia was assessed in noncontact lens wearers using a photographic reference scale. The study was carried out on a sample of 252 females and 227 males within the age range of 1 to 89 years. The results show increasing levels of hyperaemia with age and higher levels of hyperaemia in males than in females. The differences in hyperaemia level for age and sex, however, were small and were insignificant clinically.
Epigenetics of Pluripotent Cells (2012)

Pluripotency is maintained by a complex system that includes the genetic and epigenetic levels. Recent studies have shown that the genetic level (transcription factors, signal pathways, and microRNAs) closely interacts with the enzymes and other specific proteins that participate in the formation of the chromatin structure. The interaction between the two systems results in the unique chromatin state observed in pluripotent cells. In this review, the epigenetic features of embryonic stem cells and induced pluripotent stem cells are considered. Special attention is paid to the interplay of the transcription factors OCT4, SOX2, and NANOG with the Polycomb group proteins and other molecules involved in the regulation of the chromatin structure. The participation of the transcription factors of the pluripotency system in the inactivation of the X chromosome is discussed. In addition, the epigenetic events taking place during reprogramming of somatic cells to the pluripotent state and the problem of "epigenetic memory" are considered.
All's Well that Ends Well? (1993)

An abstract is not available for this content so a preview has been provided. Please use the Get access link above for information on how to access this content.
Augmented Hydrolysis of Diisopropyl Fluorophosphate in Engineered Mutants of Phosphotriesterase (1997)

The phosphotriesterase from Pseudomonas diminuta hydrolyzes a wide variety of organophosphate insecticides and acetylcholinesterase inhibitors. The rate of hydrolysis depends on the substrate and can range from 6000 s-1 for paraoxon to 0.03 s-1 for the slower substrates such as diethylphenylphosphate. Increases in the reactivity of phosphotriesterase toward the slower substrates were attempted by the placement of a potential proton donor group at the active site. Distances from active site residues in the wild type protein to a bound substrate analog were measured, and Trp131, Phe132, and Phe306 were found to be located within 5.0 A of the oxygen atom of the leaving group. Eleven mutants were created using site-directed mutagenesis and purified to homogeneity. Phe132 and Phe306 were replaced by tyrosine and/or histidine to generate all combinations of single and double mutants at these two sites. The single mutants W131K, F306K, and F306E were also constructed. Kinetic constants were measured for all of the mutants with the substrates paraoxon, diethylphenylphosphate, acephate, and diisopropylfluorophosphate. Vmax values for the mutant enzymes with the substrate paraoxon varied from near wild type values to a 4-order of magnitude decrease for the W131K mutant. There were significant increases in the Km for paraoxon for all mutants except F132H. Vmax values measured using diethylphenylphosphate decreased for all mutants except for F132H and F132Y, whereas Km values ranged from near wild type levels to increases of 25-fold. Vmax values for acephate hydrolysis ranged from near wild type values to a 10(3)-fold decrease for W131K. Km values for acephate ranged from near wild type to a 5-fold increase. Vmax values for the mutants tested with the substrate diisopropylfluorophosphate showed an increase in all cases except for the W131K, F306K, and F306E mutants. The Vmax value for the F132H/F306H mutant was increased to 3100 s-1. These studies demonstrated for the first time that it is possible to significantly enhance the ability of the native phosphotriesterase to hydrolyze phosphorus-fluorine bonds at rates that rival the hydrolysis of paraoxon.
The Effects of Fiber Surface Modification and Thermal Aging on Composite Toughness and its Measurement (1997)

A detailed experimental study was conducted to establish the structure-property relationships between elevated temperature aging and (1) fiber-matrix bonding, (2) Mode II interlaminar fracture toughness, and (3) failure modes of carbon fiber/PMR-15 composites. The fiber-matrix adhesion was varied by using carbon fibers with different surface treatments. Short beam shear tests were used to quantify the interfacial shear strength afforded by the use of the different fiber surface treatments. The results of the short beam shear tests definitely showed that, for aging times up to 1000 hr, the aging process caused no observable changes in the bulk of the three composite materials that would degrade the shear properties of the material. Comparisons between the interlaminar shear strength (ILSS) measured by the short beam shear tests and the G,,, test results, as measured by the ENF test, indicated that the differences in the surface treatments significantly affected the fracture properties while the effect of the aging process was probably limited to changes at the starter crack tip. The fracture properties changed due to a shift in the fracture from an interfacial failure to a failure within the matrix when the fiber was changed from AU-4 to AS-4 or AS-4G. There appears to be an effect of the fiber/matrix bonding on the thermo-oxidative stability of the composites that were tested. The low bonding afforded by the AU-4 fiber resulted in weight losses about twice those experienced by the AS-4 reinforced composites, the ones with the best TOS. The results are in agreement with those of previous work completed by the authors.
Non-Point Source Water Pollution in China: Current Status and Future Prospects (2005)

Abstract The pollution impacts of different types of non-point source pollution (NSP) were identified on a large scale in the lower Great Lakes of North America in the 1970s, beginning with the eutrophication crisis in these lakes and subsequently expanding to toxic substances and endocrine disrupting substances. Since then, there has developed a large knowledge base on this subject. Especially in the United States, there is now an extensive legislative and administrative framework for non-point pollution management and control. Recently, China has recognized that non-point source pollution is a major contributing factor to water pollution in many parts of China. There has been recent work in several of the large lakes of China where eutrophication is severe. Elsewhere, factory farms contribute large pollutant loads. There are currently limited legal, administrative, or technical frameworks for evaluating or controlling non-point source pollution in China. As part of the reform of governance in China, the...
Yeast LEU2. Repression of mRNA levels by leucine and primary structure of the gene product. (1984)

It has been known that enzyme activity associated with the yeast LEU1 and LEU2 gene product (beta-isopropylmalate dehydrogenase) drops sharply when yeast is grown in the presence of leucine. RNA blot hybridizations with LEU2-specific probes establish that this is accompanied by a 5-fold repression in LEU2 mRNA levels. A similar repression was noted recently for LEU1 mRNA levels (Hsu, Y.-P., and Schimmel, P. (1984) J. Biol. Chem. 259, 3714-3719). Nuclease mapping of the 5'-end of the LEU2 mRNA shows a major start at approximately 16 nucleotides upstream of the AUG initiation codon. This initiation site in the gene is retained in an extensive LEU2 5'-noncoding region deletion which still expresses the LEU2 gene product (Erhart, E., and Hollenberg, C. P. (1983) J. Bacteriol. 156, 625-635). The primary structure of the LEU2 gene product was established from the nucleotide sequence of the gene-coding region and from fitting amino acid sequences of scattered internal peptides to the nucleotide sequence. The 364-amino acid protein has a 13-amino acid stretch which is highly homologous to the partially sequenced yeast LEU1 gene product (isopropylmalate isomerase). The homology occurs about 290 amino acids from the respective NH2 termini of the two proteins. The homology may represent residues which interact with beta-isopropylmalate, a common ligand for the enzymes.