gebhart/patrepeval huggingface dataset:
Chiral Group 4 Cyclopentadienyl Complexes and Their Use in Polymerization of Lactide Monomers (2014)

A family of group 4 alkoxide and aryloxide complexes of a chiral cyclopentadienyl-derived (hydro)permethylpentalenyl ligand (C8Me6H; Pn*(H)) have been prepared and fully characterized. Both racemic and enantiopure complexes of all group 4 congeners were prepared with a wide variety of alkoxide and aryloxide ligands. The complexes Pn*(H)Ti(OtBu)3 (1), Pn*(H)Ti(O-2,6-Me-C6H3)3 (2), Pn*(H)Zr(OtBu)3 (3), Pn*(H)Zr(OCH2Ph)3 (4), Pn*(H)Zr(S-OCH{CH3}C6H5)3 (5), Pn*(H)Zr(rac-OCH{CH3}C6H5)3 (6), Pn*(H)Zr(O-2,6-Me-C6H3)3 (7), Pn*(H)Zr(O-2,6-iPr-C6H3)3 (8), Pn*(H)ZrCl2(O-2,6-tBu-C6H3) (9), Pn*(H)Hf(O-2,6-Me-C6H3)3 (10), Pn*(H)HfCl(O-2,6-iPr-C6H3)2, (11), and Pn*(H)HfCl2(O-2,6-tBu-C6H3) (12) were prepared by the reaction of Pn*(H)MCl3 complexes with the corresponding potassium alkoxides and aryloxides. Single-crystal X-ray diffraction studies implied that, despite multiple diastereomers being possible for each complex, the diastereomers isolated are limited to configurations in which the methyl group at the chiral center is always oriented anti to the metal center in order to minimize steric hindrance (R,RP and S,SP). The complexes were investigated as initiators for the ring-opening polymerization of l- and rac-lactide in order to ascertain if these mixtures of diastereomers could exert any stereocontrol on the resulting polymerization. Kinetic studies were completed to explore the effects of the metal cation, chiral (hydro)permethylpentalenyl ligand, ancillary ligands, initiator concentration and temperature. Both Pn*(H)Zr(S–OCH{CH3}C6H5)3 and Pn*(H)Zr(rac-OCH{CH3}C6H5)3 demonstrated very high rates of propagation for l- and rac-lactide (1.885 < kobs < 3.442 h–1) at 100 °C. The observed propagation rates using Pn*(H)Zr(rac-OCH{CH3}C6H5)3 are around 70% faster for l-lactide and rac-lactide in comparison to those using Pn*(H)Zr(S-OCH{CH3}C6H5)3. The polymers were characterized by NMR spectroscopy, GPC, and MALDI-ToF mass spectrometry in order to investigate the tacticities and polydispersities of the polymerizations.
New low-cost high-efficiency solar module: diffracting deflector module (2012)

TiO2 based sol-gel microstructuring layer is applied to increase efficiency of solar cells modules or the so-called PV planar concentrators, by reducing the amount of solar cells (silicon based solar cells) while increasing the amount of solar energy trapped into the modules. The proposed solution is based on linear grating whose role is to trap and diffract the incident beam to solar cells. The design of the module and the optimized gratings, to be angularly and spectrally tolerant, are presented. The paper also deals with the fabrication of large and long gratings (m<sup>2</sup> area), using the unique direct photopatterning sol-gel solution, based on the dynamic and continuous gratings writing using phase mask lithograghy.
Use of a Temporary “Solubilizing” Peptide Tag for the Fmoc Solid-Phase Synthesis of Human Insulin Glargine via Use of Regioselective Disulfide Bond Formation (2009)

Solid-phase peptide synthesis has been refined to a stage where efficient preparation of long and complex peptides is now achievable. However, the postsynthesis handling of poorly soluble peptides often remains a significant hindrance to their purification and further use. Several synthetic schemes have been developed for the preparation of such peptides containing modifications to aid their solubility. However, these require the use of complex chemistry or yield non-native sequences. We describe a simple approach based on the use of penta-lysine "tags" that are linked to the C-terminus of the peptide of interest via a base-labile linker. After ready purification of the now freely solubilized peptide, the "tag" is removed by simple, brief base treatment giving the native sequence in much higher overall yield. The applicability of the method was demonstrated by the novel preparation of insulin glargine via solid-phase synthesis of each of the two chains--including the notoriously poorly soluble A-chain--followed by their combination in solution via regioselective disulfide bond formation. At the conclusion of the chain combination, the solubilizing peptide tag was removed from the A-chain to provide synthetic human glargine in nearly 10% overall yield. This approach should facilitate the development of new insulin analogues as well as be widely applicable to the improved purification and acquisition of otherwise poorly soluble synthetic peptides.
Estimation of SARS-CoV-2 Neutralizing Activity and Protective Immunity in Different Vaccine Types Using Three Surrogate Virus Neutralization Test Assays and Two Semiquantitative Binding Assays Targeting the Receptor-Binding Domain (2022)

Estimating neutralizing activity in vaccinees is crucial for predicting the protective effect against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). As the plaque reduction neutralization test (PRNT) requires a biosafety level 3 facility, it would be advantageous if surrogate virus neutralization test (sVNT) assays and binding assays could predict neutralizing activity. Here, five different assays were evaluated with respect to the PRNT in vaccinees: three sVNT assays from GenScript, Boditech Med, and SD Biosensor and two semiquantitative binding assays from Roche and Abbott. The vaccinees were subjected to three vaccination protocols: homologous ChAdOx1, homologous BNT162b2, and heterologous administration. The ability to predict a 50% neutralizing dose (ND<sub>50</sub>) of ≥20 largely varied among the assays, with the binding assays showing substantial agreement (kappa, ~0.90) and the sVNT assays showing relatively poor performance, especially in the ChAdOx1 group (kappa, 0.33 to 0.97). The ability to predict an ND<sub>50</sub> value of ≥118.25, indicating a protective effect, was comparable among different assays. Applying optimal cutoffs based on Youden's index, the kappa agreements were greater than 0.60 for all assays in the total group. Overall, relatively poor performance was demonstrated in the ChAdOx1 group, owing to low antibody titers. Although there were intra-assay differences related to the vaccination protocols, as well as interassay differences, all assays demonstrated fair performance in predicting the protective effect using the new cutoffs. This study demonstrates the need for a different cutoff for each assay to appropriately determine a higher neutralizing titer and suggests the clinical feasibility of using various assays for estimation of the protective effect. <b>IMPORTANCE</b> The coronavirus disease 2019 (COVID-19) pandemic continues to last, despite high COVID-19 vaccination rates. As many people experience breakthrough infection after prior infection and/or vaccination, estimating the neutralization activity and predicting the protective effect are major issues of concern. However, since standard neutralization tests are not available in most clinical laboratories, it would be beneficial if commercial assays could predict these aspects. In this study, we evaluated the performance of three sVNT assays and two semiquantitative binding assays targeting the receptor-binding domain with respect to the PRNT. Our results suggest that these assays could be used for predicting the protective effect by adjusting the cutoffs.
Blue-green laser emission from ZnSe quantum well microresonators (1993)

Microresonator structures have been fabricated from (Zn,Cd)Se/Zn(S,Se) quantum well material. The resonators, which are designed in the ‘‘whispering gallery’’ geometry, have been optically pumped at room temperature with threshold excitation levels of 100 kW/cm2.
Development of a database system for mapping insertional mutations onto the mouse genome with large-scale experimental data (2009)

MP-PBmice is a web-based application for large-scale insertional mutation mapping onto the mouse genome, implemented with the widely used framework Struts-Spring-Hibernate. This system is already in use by the on-going genome-wide PB insertional mutation mapping project at IDM, Fudan University.
Cavity-Modified Unimolecular Dissociation Reactions via Intramolecular Vibrational Energy Redistribution (2022)

While the emerging field of vibrational polariton chemistry has the potential to overcome traditional limitations of synthetic chemistry, the underlying mechanism is not yet well understood. Here, we explore how the dynamics of unimolecular dissociation reactions that are rate-limited by intramolecular vibrational energy redistribution (IVR) can be modified inside an infrared optical cavity. We study a classical model of a bent triatomic molecule, where the two outer atoms are bound by anharmonic Morse potentials to the center atom coupled to a harmonic bending mode. We show that an optical cavity resonantly coupled to particular anharmonic vibrational modes can interfere with IVR and alter unimolecular dissociation reaction rates when the cavity mode acts as a reservoir for vibrational energy. These results lay the foundation for further theoretical work toward understanding the intriguing experimental results of vibrational polaritonic chemistry within the context of IVR.
Short-Duration Exposure and the Transmission of Rhinoviral Colds (1984)

Transmission of infection with rhinovirus type 55 was attempted under natural circumstances of interaction among 26 experimentally infected donors and 33 antibody-free (titer, less than 1:3) recipients. In a total of three experiments, only two recipients (6%) became infected. In the first experiment no transmissions from five donors to nine recipients occurred after 2-3 hr of loud vocalization and card playing in a small room. In the second experiment a cold was transmitted to one (9%) of 11 recipients living in dormitory rooms for 36 hr in groups consisting chiefly of two donors and two recipients. In the third experiment one (8%) of 13 recipients was infected after kissing an infected donor. In studies with rhinovirus type 16, the 50% human infectious dose was found to be 0.28 TCID50 (50% tissue culture infectious dose) in the nose, 2,260 TCID50 on the tongue, and 11,000 TCID50 on the external nares. Rhinoviral infections are difficult to transmit by short-term natural exposure, perhaps because the agent must be present in overwhelming numbers to reach susceptible mucosal cells.
Extrinsic Fabry-Perot interferometer for measuring the stiffness of ciliary bundles on hair cells (1999)

We have developed an extrinsic Fabry-Perot interferometer (EFPI) to measure displacements of microscopic, living organelles in the inner ear. The EFPI is an optical phase-shifted instrument that can be used to measure nanometer displacements. The instrument transmits a coherent light signal to the end of a single glass optical fiber where the measurement is made. As the coherent light reaches the end of the fiber, part of this incident signal is reflected off the internal face of the fiber end (reference reflection) and part is transmitted through the end of the fiber. This transmitted light travels a short distance and is reflected off the surface whose displacement is to be measured (the target). This sensing reflection then reenters the fiber where it interferes with the reference reflection. The resulting interference signal then travels up the same optical fiber to a detector, where it is converted into a voltage that can be read from an oscilloscope. When the target moves, the phase relation between reference and sensing reflections changes, and the detector receives a modulated signal proportional to the target movement. Reflections of as little as 1% at both the sensor tip and target surfaces produce good results with this system. We use the EFPI in conjunction with fine glass whiskers to measure the stiffness (force per unit deflection) of stereociliary bundles on hair cells of the inner ear. The forces generated are in the tenths of picoNewton range and the displacements are tens of nanometers. Here we describe the EFPI and its development as a method for measuring displacements of microscopic organelles in a fluid medium. We also report experiments to validate the accuracy of the EFPI output and preliminary measurements of ciliary bundle stiffness in the posterior semicircular canal.
Physiological Differences in Cryptococcus neoformans Strains In Vitro versus In Vivo and Their Effects on Antifungal Susceptibility (2016)

<i>Cryptococcus neoformans</i> is an environmentally ubiquitous fungal pathogen that primarily causes disease in people with compromised immune systems, particularly those with advanced AIDS. There are estimated to be almost 1 million cases per year of cryptococcal meningitis in patients infected with human immunodeficiency virus, leading to over 600,000 annual deaths, with a particular burden in sub-Saharan Africa. Amphotericin B (AMB) and fluconazole (FLC) are key components of cryptococcal meningitis treatment: AMB is used for induction, and FLC is for consolidation, maintenance and, for occasional individuals, prophylaxis. However, the results of standard antifungal susceptibility testing (AFST) for AMB and FLC do not correlate well with therapeutic outcomes and, consequently, no clinical breakpoints have been established. While a number of explanations for this absence of correlation have been proffered, one potential reason that has not been adequately explored is the possibility that the physiological differences between the <i>in vivo</i> infection environment and the <i>in vitro</i> AFST environment lead to disparate drug susceptibilities. These susceptibility-influencing factors include melanization, which does not occur during AFST, the size of the polysaccharide capsule, which is larger in infecting cells than in those grown under normal laboratory conditions, and the presence of large polyploid "titan cells," which rarely occur under laboratory conditions. Understanding whether and how <i>C. neoformans</i> differentially expresses mechanisms of resistance to AMB and FLC in the AFST environment compared to the <i>in vivo</i> environment could enhance our ability to interpret AFST results and possibly lead to the development of more applicable testing methods.
Metabolism of L-Thyroxine by Phagocytosing Peritoneal Macrophages (1974)

Induction of phagocytosis in peritoneal macrophages resulted in a great stimulation of the deiodination of 125I-labeled L-thyroxine ([125I] T4). Despite the stimulation of deiodination, the quantity of undegraded [125I] T4 in the cells was increased, suggesting that increased cellular uptake is a factor contributing to the stimulation of deiodination that phagocytosis induces. The increased deiodination of T4 by phagocytosing cells could contribute to the acceleration of T4 metabolism that occurs during acute bacterial sepsis in vivo. (Endocrinology94: 920, 1974)
Influence of Shear-Thinning of Polymer-Containing Engine Oils on Friction at the Piston Ring-Cylinder Liner Interface (2013)

&lt;div class="section abstract"&gt;&lt;div class="htmlview paragraph"&gt;Friction loss at the piston ring-cylinder liner interface in an internal combustion engine strongly affects the fuel economy of automobiles. However, the relationships between viscosity characteristics of engine oils and friction at ring-liner interface are not well understood. In this study, we experimentally measured ring-liner friction using a floating liner method with various formulations of engine oils. Two types of engine oils were tested: Non-Newtonian oils that contain polymer additive viscosity modifiers (VMs) and Newtonian VM-free oils. We first tested VM-free oils with different base oil viscosities and found that the dominant friction energy mechanism changed from hydrodynamic lubrication to mixed lubrication as engine oil viscosity or piston speed were decreased. Friction energy reached a minimum at this transition point. We then tested VM-containing oil with different VM composition and found a relatively higher friction loss with VM-containing engine oils than with their VM-free counterparts in a mixed lubrication regime at the same low-shear viscosity. The relationships between effective viscosity and shear rate of VM-containing oils, measured through a high-shear viscometer, allowed us to estimate shear rate at the ring-liner interface. The most probable shear rate is consistent with the shear rate estimated from piston velocity and surface roughness, indicating that shear-thinning occurs at the ring-liner interface. These results suggest that shear-thinning can reduce fuel economy and durability in a mixed lubrication regime. Therefore, next-generation engine oils might need careful adjustment in viscosity and/or friction modifiers to improve their boundary friction performance.&lt;/div&gt;&lt;/div&gt;
Anamorphic image processing (1980)

Thesis (B.S.)--Massachusetts Institute of Technology, Dept. of Electrical Engineering and Computer Science, 1980.
Mechanism of carbon nanotubes unzipping into graphene ribbons (2009)

The fabrication of graphene nanoribbons from carbon nanotubes (CNTs) treated with potassium permanganate in a concentrated sulfuric acid solution has been reported by Kosynkin et al. [Nature (London) 458, 872 (2009)]. Here we report ab initio density functional theory calculations of such unzipping process. We find that the unzipping starts with the potassium permanganate attacking one of the internal C-C bonds of the CNT, stretching and breaking it. The created defect weakens neighboring bonds along the length of the CNT, making them energetically prone to be attacked too.
Polymeric phosphonium salts as a novel class of cationic biocides. VI. Antibacterial activity of fibers surface‐treated with phosphonium salts containing trimethoxysilane groups (1994)

Abstract Alkoxysilane with phosphonium biocides as coupling agents were covalently attached to cotton‐fiber surfaces, and the antibacterial activity of the surface‐treated fibers against Staphylococcus aureus and Escherichia coli was evaluated by the viable cell counting method in sterile distilled water. These fibers with phosphonium salts were found to exhibit high antibacterial activity against S. aureus and E. coli , particularly against S. aureus , and the activity increased as hydrophobicity of the substituents bonded directly to phosphonium ions increased. Furthermore, morphological changes of the cells of S. aureus and E. Coli in contact with the fibers were evaluated by scanning electron microscopy. It was found that the fiber with the phosphonium biocides exhibited bacteriostatic as well as bactericidal activity against both strains, which was evident from observation of normal and deformed cells of these species in contact with the fibers. © 1994 John Wiley &amp; Sons, Inc.
Online event detection based on the spatio-temporal analysis in the river sensor networks (2015)

Events detection with the spatio-temporal correlation is one of the most popular applications in the wireless sensor networks. In general, the existing approaches separate time and space data properties and cannot combine abnormal characteristics of the global network to make a unified spatial-temporal detection. In this paper, a decentralized algorithm based on probabilistic graphical models (PGMs) of spatial-temporal detection was proposed to detect abnormal event with spatio-temporal correlation. Firstly we utilize the connected dominating set (CDS) algorithm to select backbone nodes to avoid collecting a large amount of sensory data from all the sensor nodes. Then, adopting Markov chains to model the temporal dependency among the different sensor nodes, and Bayesian Network was applied to model the spatial dependency of sensors. Based on the analysis of the spatio-temporal data correlation, the wireless sensor network can predict the abnormal events occurrence. In the paper, the online event detection with spatio-temporal correlation is applied in the river sensor networks. The extensive experimental results demonstrated that the proposed algorithm can achieve better performance than the simple thresholds algorithm and Bayesian Network based algorithm in the terms of the detection precision, data transmission delay, scalability and response speed.
Quantitative liver function tests improve the prediction of clinical outcomes in chronic hepatitis C: Results from the hepatitis C antiviral long-term treatment against cirrhosis trial (2011)

QLFTs independently predict risk for future clinical outcomes. By improving risk assessment, QLFTs could enhance the noninvasive monitoring, counseling, and management of patients with chronic HCV.
Timing of E. coli pre‐RC assembly is determined by two different growth rate‐specific mechanisms (2007)

New rounds of DNA synthesis require tightly regulated conversion of pre‐existing origin recognition complexes (ORC) into pre‐replication complexes (pre‐RC) that unwind origin DNA and load DNA replicative helicase. Using DNA footprint analysis we find that two mechanisms regulating pre‐RC assembly in E. coli are growth rate‐specific. One mechanism, active only when E. coli contains multiple oriC copies during rapid growth, consists of an ORC‐binding protein (Fis) that increases the number of initiator DnaA copies required to assemble functional pre‐RC. During slow growth with one chromosomal origin, an alternate mechanism (initiator titration) becomes active. DnaA recognition sites within the downstream titration locus ( datA ) become available to compete with oriC for newly synthesized DnaA. By implementing these growth‐rate‐specific switches, E. coli ensures sufficient DnaA (origin overloading) to trigger synchronous DNA synthesis from multiple origins, but makes just enough DnaA available for proper cell cycle timing when only one copy is present. We propose that switches of this type are likely to be common in cells that are capable of both rapid and slow growth over a wide range of nutritional conditions. Supported by NIH GM54052.
Improving the efficiency of thermal power plant using thermoelectric material (2012)

The efficiency of thermal power plants is rather poor. In the power plants, before starting a new cycle, the steam which is used to spin the turbine in the last cycle has to be condensed to water at first and then reheated to change into steam again. This process is an important thermodynamic rule and needed for an efficient heat to electricity conversion cycle in the power plants, so, in addition to mechanical and heat transfer losses, large amounts of fuel energy is wasted during condensation and rejected to the atmosphere. In the presented paper, we decide to convert some of the condenser wasted energy to electricity using thermoelectric material. At first, the cycle occurring in thermal power plants in which the electricity is generated from the fuel heat, is explained. Then, the two condenser types and their performance mechanism are declared. After selecting appropriate thermoelectric material and presenting its characteristic and also equations, a thermoelectric generator is designed to use as the condenser of a 2000MW thermal power plant. It's shown that about 3.3% increasing in the power plant efficiency is expected by using the selected thermoelectric generator in the condensation cycle.
Integrated optical devices of InGaAsP/InP heterojunction phototransistor and inner stripe light-emitting diode (1985)

New integrated optical devices combining an InGaAsP/InP HPT and an inner-stripe LED are proposed and their fabrication processes are described. The device functions of light amplification, optical bistability, and optical switching are demonstrated in the 1-μm wavelength region.