gebhart/patrepeval huggingface dataset:
13C NMR study of the substituent effects on the internal steric hindrances in amidines (1989)

Abstract 13 C NMR spectra of ten formamidines, five acetamidines and five butyramidines were recorded at low temperatures. The barrier to rotation around the CN 1 bond for N 2 ‐alkylformamidines is approximately 50 kJ mol −1 and for N 2 ‐benzylformamidines approximately 52 kJ mol −1 , and is thus ca. 10 kJ mol −1 lower than for N 2 ‐phenylformamidines. The height of the barrier is related to Taft's substituent constants at N 2 , δG* = 49.25 + 8.08σ* −3.21 E s . In the acetamidines the steric hindrance between the alkyl substituent at N 2 with C F CH 3 contributed to the decrease in δ* (lower than 40 kJ mol −1 ). The i ‐C 3 H 7 substituent at C F in butyramidines forces isomerization and these amidines become Z isomers. MNDO calculations indicate no significant changes of bond length on E / Z isomerization, and the low rotational barrier in butyramidines is probably caused by the steric interaction of the aromatic ring at N 2 with the N 1 (CH 3 ) 2 group.
C−H Activation of Phenyl Imines and 2-Phenylpyridines with [Cp*MCl2]2 (M = Ir, Rh): Regioselectivity, Kinetics, and Mechanism (2009)

Sodium acetate promoted C−H activation in a series of para-substituted phenyl imines has been examined using [Cp*MCl2]2 (M = Ir, Rh). The regioselectivity was investigated using a series of meta-substituted phenyl imines (−OMe, −CH3, −F, −COOMe, −CF3, and −CN) and 2-phenylpyridines (−OMe, −CH3, and −CF3). It was found that substrates with electron-donating substituents react significantly faster than substrates with electron-withdrawing substituents, which is consistent with an electrophilic C−H activation mechanism. It was also found that the regioselectivity of the C−H activation was extremely sensitive to steric effects, with a meta methyl group leading to only one regioisomer. Solvent and temperature studies showed that the reaction rate can be increased both by increasing temperature and by using polar solvents such as methanol. The regioselectivity was solvent dependent for the reaction with [Cp*IrCl2]2 but independent of solvent for the reaction with [Cp*RhCl2]2. The regioselectivity was temperature independent for both metals. With added acid, the aromatic C−H activation was shown to be reversible. Kinetic studies were performed, leading to the conclusion that [Cp*M(OAc)]+ is the key catalytic species responsible for the electrophilic C−H activation.
Nanoscale of biomimetic moth eye structures exhibiting inverse polarization phenomena at the Brewster angle (2010)

The unique functionalities of nanoscale structures in the natural world are an inspiration to the development of new nano-manufacturing techniques. For example, the cornea of the moth's eye features a sub-wavelength natural antireflective architecture. To date, almost all optical research into moth eye structures has been focused on their antireflective properties. No studies of inverse polarization phenomena at the Brewster angle have been reported, especially in biomimetic structures. For the first time, we discovered a unique inverse polarization phenomenon on moth eye structures that arises from TM-polarized light having a higher reflectance than TE-polarized light on moth eye structures at angles of incidence near the Brewster angle, unlike the behavior of polarized light on flat interfaces. Herein, we report a one-step colloidal lithography process that allows the fabrication of several kinds of moth eye structures. We characterized these moth eye structures experimentally and through rigorous coupled-wave analysis to understand the mechanism underlying this inverse polarization phenomenon in both visible and near infrared ray (NIR) regimes. Controlling the structural height and degree of non-close-packing of the moth eye structures had a dramatic effect on the extent of inverse polarization. This study is potentially important for various polarization-dependent devices and measurements.
What's new: Finding significant differences in network data streams (2004)

Monitoring and analyzing network traffic usage patterns is vital for managing IP Networks. An important problem is to provide network managers with information about changes in traffic, informing them about "what's new". Specifically, we focus on the challenge of finding significantly large differences in traffic: over time, between interfaces and between routers. We introduce the idea of a deltoid: an item that has a large difference, whether the difference is absolute, relative or variational. We present novel algorithms for finding the most significant deltoids in high speed traffic data, and prove that they use small space, very small time per update, and are guaranteed to find significant deltoids with prespecified accuracy. In experimental evaluation with real network traffic, our algorithms perform well and recover almost all deltoids. This is the first work to provide solutions capable of working over the data with one pass, at network traffic speeds
Algorithm for high quality ionograms (2000)

A new ionogram algorithm, which is highly successful in generating robust and sharp digital ionograms free of artefacts and processing noise, is presented. An important feature of the algorithm is the distortionless zooming capability, which allows the user to concentrate only on the desired magnetoionic components of the ionogram.
Keto fatty acids not containing doubly allylic methylenes are lipoxygenase substrates (1991)

The soybean lipoxygenase I oxygenates the unusual substrate 12-keto-(9Z)-octadecenoic acid methyl ester as indicated by oxygen uptake and spectral changes of the incubation mixture. The main oxygenation products have been isolated by HPLC and identified as 9,12-diketo-(10E)-octadecenoic acid methyl ester and 12-keto-(10E)-dodecenoic acid methyl ester by UV and IR spectroscopy, cochromatography with an authentic standard, gas chromatography/mass spectroscopy, and 1H NMR. In the formation of both compounds the oxygenase and hydroperoxidase activities of the enzyme appear to be involved. These data and the earlier results on the oxygenation of furanoic fatty acids (Boyer et al., 1979) indicate that the lipoxygenase reaction is not restricted to substrates containing a 1,4-pentadiene structure.
Research in User eXperience (RUX) Lab (2019)

The Research in User eXperience (RUX) Lab is a research-based laboratory in the Department of Human Factors and behavioral Neurobiology. We investigate issues related to user experience (UX) and usability of software, products, and processes and provide consulting services to industry.
Social Research Collaboration: Libraries Need Not Apply? (2013)

Social media was born an efficient method of personal networking. As more and more researchers took to social media platforms, we have witnessed an organic growth of collaboration among scholars, faculty, students, etc. This phenomenon has led us to a profound change in the way we conduct research through social media. Research through collaboration is now increasingly important in order to achieve a higher impact throughout the research community. But where does the library fit into this? The simple answer is that researchers are now bypassing the library. This presentation will look at the new reality of social research collaboration and discuss what kinds of webbased tools can support the workflow and peer collaboration of researchers. The presenters will also discuss why it is essential for libraries to become part of the solution before they are left out in the cold.
Observation of ferromagnetic ordering in Mn‐doped 8‐hydroxy‐quinoline aluminum (2007)

Abstract The ferromagnetic property of Mn‐doped 8‐hydroxy‐quinoline aluminum (Alq 3 ), synthesized by thermal co‐evaporation of pure Mn metals and Alq 3 powders, was investigated. The weak ferromagnetic property was observed in 5%‐doped Alq 3 , with saturation magnetization of around 0.05 μ B /Mn. The doped Mn chemically interacted with O atoms, producing a new gap state at 0.34 eV above the highest occupied molecular orbital and reducing the effective electron concentration. This led to the decrease of the electron affinity and increase of the optical bandgap, resulting in the reduction of the hole‐injection barrier in comparison with the electron‐injection barrier to the Alq 3 layer. From these, the origin of the observed ferromagnetism is suggested. (© 2008 WILEY‐VCH Verlag GmbH &amp; Co. KGaA, Weinheim)
Nerve Staining with Leucomethylene Blue (1984)

Identification and preservation of the facial nerve during extirpative and reconstructive surgery represents a challenge even for the experienced surgeon. We present an experimental intraoperative technique for staining the facial nerve and its branches that is safe, accurate, and inexpensive. Leucomethylene blue is injected into the precise region of the facial nerve. Staining of the surrounding tissues is efficiently reduced by irrigation with ascorbic acid solution, leaving only the facial nerve stained. This technique has been encouraging in rabbits, and with additional experience, we anticipate its use for intraoperative staining of the facial nerve in humans.
CO-Evolution Between CCC-Driven Cash Flow Management and Transformation of R&D – Amazon’S Endeavor (2019)

Amazon became the world R&D leader in 2017 by rapidly increasing R&D investment. The company's extremely large amount of R&D funds is the result of an ample free cash flow generated by sophisticated cash conversion cycle (CCC) management. Increased R&D induced business advancement and lean cost structure construction leading to further increase in cash flow which has stimulated interaction between vendors, customers, and Amazon via the Amazon marketplace. Activated interaction accelerated CCC advancement, a subsequent free cash flow increase, and user-driven innovation, thus accelerated the transformation of routine or periodic alteration activities into significant improvement simultaneously. All of these components function together as a consolidated sophisticated machine.
Angle of incidence effects on soiled PV modules (2014)

The transmission level of the incident light on the photovoltaic (PV) modules depends on the angle of incidence (AOI) and air/superstrate interface. The AOI dependence for the air/glass interface has already been well established. When the glass superstrate is covered by a soil/dust layer, the air/glass interface is altered and thereby changes the AOI dependence to air/soil/glass interface. In this work, PV modules retrieved from the field that had different dust densities have been measured for the dependence of the AOI curves on the dust gravimetric densities. It was determined that the AOI curve is inversely related to the soil density. The critical AOI for the air/glass interface is about 57&deg; and it shifts dramatically as the soil gravimetric density (g/m<sup>2</sup>) increases. The measured AOI curves were then fitted and validated with the analytical/empirical models reported in the literature.
Kinetics and Diagnostic and Prognostic Potential of Quantitative Western Blot Analysis and Antigen-Specific Enzyme-Linked Immunosorbent Assay in Experimental Canine Leishmaniasis (2006)

Quantitative computerized Western blot analysis of antibody responses during experimental canine Leishmania infantum infection distinguished between immunodominant and nonimmunodominant protein bands. Six infected beagles, positive by both PCR and parasite culture, were monitored over 75 weeks postinfection and during a 12-week allopurinol treatment course. All dogs were symptomatic at the time of treatment. Of 12 antigenic bands examined, the immunodominant bands (12, 14, 24, 29, 48, and 68 kDa) showed significantly increased intensities (P<0.01) and higher frequencies of recognition than the nonimmunodominant bands at all time points. Detection of the former bands at 6 weeks postinfection preceded seroconversion by enzyme-linked immunosorbent assay (ELISA) both on crude Leishmania antigen or the recombinant proteins rK39 and HSP70. Reactivity with the 14-, 48-, and 68-kDa bands signified early infection, whereas increased reactivity with the 14-, 24-, and 29-kDa bands was associated with posttreatment parasite persistence and potential unfavorable prognosis. Total lane intensity (TLI) emerged as a sensitive marker for early infection and increased as early as 4 weeks postinfection. TLI had a significantly higher (P<0.01) relative increase rate than crude Leishmania antigen or HSP70 or rK39 ELISA at all time points. These immunodominant antigens and TLI, as determined by quantitative Western blotting, will be valuable for early detection and treatment evaluation of canine leishmaniasis.
Energy Storage: One‐Pot Synthesis of Tunable Crystalline Ni3S4@Amorphous MoS2 Core/Shell Nanospheres for High‐Performance Supercapacitors (Small 30/2015) (2015)

A supercapacitor with a high energy density is greatly desirable to develop quick energy-storage devices. On page 3694, Q. Yan and co-workers design multifunctional architectures that effectively combine MoS2 thin nanosheets and polyaniline nanoneedle arrays as ideal building blocks. A high electrode energy density, comparable to lithium ion batteries, is achieved owing to both electrochemical active components and their unique structure properties including high surface area, good electric conductivity, and good ion/electron transportation.
Batch fabrication and operation of GaAs-Al/sub x/Ga/sub 1-x/As field-effect transistor-self-electrooptic effect device (FET-SEED) smart pixel arrays (1993)

The structure, processing, and performance of arrays of integrated field-effect transistor-self-electrooptic effects devices (FET-SEEDs) consisting of doped-channel field-effect transistors, multiple quantum-well (MQW) modulators, and p-i-n MQW detectors are discussed. The performance of the FETs and SEEDs such as g/sub m/ and contrast, is equivalent to that obtained when they are made separately. Typical values are g/sub m/=80 mS/mm and contrast of 3. The largest arrays contain 128 circuits. The circuits operate at speeds as fast as 500 Mb/s, with optical input switching energy of approximately=400 fJ. At 170 Mb/s, the required optical input switching energy is approximately=70 fJ. This optical energy is at least a factor of 20 less than for symmetric SEEDs (S-SEEDs) with the same optical window sizes. Hence, FET-SEEDs provide superior performance compared to conventional S-SEEDs.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
Binding of the AVR4 Elicitor of Cladosporium fulvum to Chitotriose Units Is Facilitated by Positive Allosteric Protein-Protein Interactions (2004)

The attack of fungal cell walls by plant chitinases is an important plant defense response to fungal infection. Anti-fungal activity of plant chitinases is largely restricted to chitinases that contain a noncatalytic, plant-specific chitin-binding domain (ChBD) (also called Hevein domain). Current data confirm that the race-specific elicitor AVR4 of the tomato pathogen Cladosporium fulvum can protect fungi against plant chitinases, which is based on the presence of a novel type of ChBD in AVR4 that was first identified in invertebrates. Although these two classes of ChBDs (Hevein and invertebrate) are sequentially unrelated, they share structural homology. Here, we show that the chitin-binding sites of these two classes of ChBDs have different topologies and characteristics. The K(D), DeltaH, and DeltaS values obtained for the interaction between AVR4 and chito-oligomers are comparable with those obtained for Hevein. However, the binding site of AVR4 is larger than that of Hevein, i.e. AVR4 interacts strictly with chitotriose, whereas Hevein can also interact with the monomer N-acetylglucosamine. Moreover, binding of additional AVR4 molecules to chitin occurs through positive cooperative protein-protein interactions. By this mechanism AVR4 is likely to effectively shield chitin on the fungal cell wall, preventing the cell wall from being degraded by plant chitinases.
The Internet-Based Conversational Engagement Clinical Trial (I-CONECT) in Socially Isolated Adults 75+ Years Old: Randomized Controlled Trial Protocol and COVID-19 Related Study Modifications (2021)

<b>Background:</b> Increasing social interactions through communication technologies could offer a cost-effective prevention approach that slows cognitive decline and delays the onset of Alzheimer's disease. This paper describes the protocol of an active project named "Internet-based conversational engagement clinical trial (I-CONECT)" (ClinicalTrials.gov: NCT02871921). The COVID-19 pandemic related protocol modifications are also addressed in the current paper. <b>Methods:</b> I-CONECT is a multi-site, assessor-blind, randomized controlled behavioral intervention trial (RCT). We aim to randomize 320 socially isolated adults 75+ years old [160 Caucasian and 160 African American participants, 50:50 split between those with normal cognition and mild cognitive impairment (MCI)] recruited from the community to either the video chat intervention group or the control group (1:1 allocation). Those in the video chat group receive a computer and Internet service for the duration of the study, which they use to video chat with study staff for 30 min/day 4×/week for 6 months (high dose), and then 2×/week for an additional 6 months (maintenance dose). Both video chat and control groups have a brief (about 10 min) telephone check-in with study staff once per week. The primary outcome is the change in global cognitive function measured by Montreal Cognitive Assessment (MoCA) from baseline to 6 months. Secondary outcomes include changes in cognition in memory and executive function domains, emotional well-being measured by NIH Toolbox emotional battery, and daily functional abilities assessed with the Revised Observed Tasks of Daily Living (OTDL-R). Eligible participants have MRIs at baseline and 6 months. Participants contribute saliva for genetic testing (optional consent), and all video chats, weekly check-in calls and neuropsychological assessment sessions are recorded for speech and language analysis. The pandemic halted research activities and resulted in protocol modifications, including replacing in-person assessment with remote assessment, remote deployment of study equipment, and revised targeted sample size. <b>Discussion:</b> This trial provides user-friendly hardware for the conversational-based intervention that can be easily provided at participants' homes. The trial aspires to use age and culture-specific conversational materials and a related platform developed in this trial for enhancing cognitive reserve and improving cognitive function.
Determinação das propriedades catalíticas em meio aquoso e orgânico da lipase de Candida rugosa imobilizada em celulignina quimicamente modificada por carbonildiimidazol (2006)

<abstract language="eng">Microbial lipase from Candida rugosa was immobilized by covalent binding on wood cellulignin (Eucaliptus grandis) chemically modified with carbonyldiimidazole. The immobilized system was fully evaluated in aqueous (olive oil hydrolysis) and organic (ester synthesis) media. A comparative study between free and immobilized lipase was carried out in terms of pH, temperature and thermal stability. A higher pH value (8.0) was found optimal for the immobilized lipase. The optimal reaction temperature shifted from 37 &deg;C for the free lipase to 45 &deg;C for the immobilized lipase. The pattern of heat stability indicated that the immobilization process tends to stabilize the enzyme. Kinetics tests at 37 &deg;C following the hydrolysis of olive oil obeyed the Michaelis-Menten rate equation. Values for Km = 924.9 mM and Vmax = 198.3 U/mg were lower than for free lipase, suggesting that the affinity towards the substrate changed and the activity of the immobilized lipase decreased during the course of immobilization. The immobilized derivative was also tested in the ester synthesis from several alcohols and carboxylic acids.
Neuregulin-1 beta 1 is implicated in pathogenesis of multiple sclerosis (2020)

Multiple sclerosis is characterized by immune mediated neurodegeneration that results in progressive, life-long neurological and cognitive impairments. Yet, the endogenous mechanisms underlying multiple sclerosis pathophysiology are not fully understood. Here, we provide compelling evidence that associates dysregulation of neuregulin-1 beta 1 (Nrg-1β1) with multiple sclerosis pathogenesis and progression. In the experimental autoimmune encephalomyelitis model of multiple sclerosis, we demonstrate that Nrg-1β1 levels are abated within spinal cord lesions and peripherally in the plasma and spleen during presymptomatic, onset and progressive course of the disease. We demonstrate that plasma levels of Nrg-1β1 are also significantly reduced in individuals with early multiple sclerosis and is positively associated with progression to relapsing-remitting multiple sclerosis. The functional impact of Nrg-1β1 downregulation preceded disease onset and progression, and its systemic restoration was sufficient to delay experimental autoimmune encephalomyelitis symptoms and alleviate disease burden. Intriguingly, Nrg-1β1 therapy exhibited a desirable and extended therapeutic time window of efficacy when administered prophylactically, symptomatically, acutely or chronically. Using in vivo and in vitro assessments, we identified that Nrg-1β1 treatment mediates its beneficial effects in EAE by providing a more balanced immune response. Mechanistically, Nrg-1β1 moderated monocyte infiltration at the blood-CNS interface by attenuating chondroitin sulphate proteoglycans and MMP9. Moreover, Nrg-1β1 fostered a regulatory and reparative phenotype in macrophages, T helper type 1 (Th1) cells and microglia in the spinal cord lesions of EAE mice. Taken together, our new findings in multiple sclerosis and experimental autoimmune encephalomyelitis have uncovered a novel regulatory role for Nrg-1β1 early in the disease course and suggest its potential as a specific therapeutic target to ameliorate disease progression and severity.
<title>Coding of digital TV by motion-compensated Gabor decomposition</title> (1991)

The problem of easily implementable filter bank design for subband coding is discussed. A technique is proposed to generate filter banks with coefficients in powers-of-two and with maximum localization. The hierarchical structure of the filter bank is then used to eliminate the temporal redundancies by using a multiresolution motion estimation technique. Simulations show a robust estimation of the motion field with a relatively simple implementation.
Characterization of multiple transcripts and isoforms derived from the mouse protein tyrosine phosphatase gene Ptprr (2004)

The use of alternative splice sites, promoters and translation start sites considerably adds to the complexity of organisms. Four mouse cDNAs (PTPBR7, PTP-SL, PTPPBSgamma+ and PTPPBSgamma-) have been cloned that contain different 5' parts but encode identical protein tyrosine phosphatase PTPRR catalytic domains. We investigated the genomic origin and coding potential of these transcripts to elucidate their interrelationship. Mouse gene Ptprr exons were identified within a 260 kbp segment on chromosome 10, revealing PTP-SL- and PTPPBSgamma-specific transcription start sites within introns two and four, respectively, relative to the 14 PTPBR7 exons. Northern and RT-PCR analyses demonstrated differential expression patterns for these promoters. Furthermore, transfection studies and AUG codon mutagenesis demonstrated that in PTP-SL and PTPPBSgamma messengers multiple translation initiation sites are being used. Resulting 72, 60, 42 and 37 kDa PTPRR protein isoforms differ not only in the length of their N-terminal part but also in their subcellular localization, covering all major PTP subtypes; receptor-like, membrane associated and cytosolic. In summary, mouse gene Ptprr gives rise to multiple isoforms through the use of distinct promoters, alternative splicing and differential translation starts. These results set the stage for further investigations on the physiological roles of PTPRR proteins.