gebhart/patrepeval huggingface dataset:
Superacid-Catalyzed Electrocyclization of 1-Phenyl-2-propen-1-ones to 1-Indanones. Kinetic and Theoretical Studies of Electrocyclization of Oxonium−Carbenium Dications (1997)

Strongly acidic conditions are required to induce the Nazarov-type cyclization of aryl vinyl ketones, although chemical analogy with the Nazarov reaction would superficially imply a straightforward electrocyclization reaction of the O-protonated monocation. In this paper we describe the superacid-catalyzed prototype cyclization of 1-phenyl-2-propen-1-ones. The acidity dependence of these cyclization reactions as revealed by kinetic measurements strongly suggests the involvement of the O,O-diprotonated dication rather than the O-protonated monocation. That is, the cyclization of 1-phenyl-2-propen-1-ones represents an electrocyclization of the oxonium−carbenium dication. We also describe the effect of substituents at the 2-position of 1-phenyl-2-propen-1-ones. Ab initio calculations, based on the density functional theory, support the idea that electrocyclization of the dication is energetically more favarable than that of the monocation.
Tuning the Properties of Periodic Mesoporous Organosilica Films for Low‐k Application by Gemini Surfactants (2018)

Periodic mesoporous organosilica (PMO) thin films were synthesized by evaporation-induced self-assembly of 1,2-bis(triethoxysilyl)ethane and an ionic Gemini 16-12-16 surfactant under acidic conditions. The films were characterized by Fourier-transform infrared spectroscopy, grazing-incidence small-angle X-ray scattering, ellipsometric porosimetry, impedance measurements, and nanoindentation. The ease of control of the packing parameter in Gemini surfactants makes the PMO film templated by a Gemini an exciting first step towards small pore size PMO films with engineered mesostructures.
Chickpea, mungbean, cowpea and peanuts as substitutes for soybean curds (1989)

Summary Acceptable beancurds could not be formed from chickpea, mungbean, cowpea and peanuts, when using the standard procedure used to make soybean curds. Firmness (rigidity) of the curd was proportional to the protein content; inversely proportional to the square of the starch content; and negatively correlated with the square of the fat content. Firmness also improved the taste of the curds. Satisfactory curds could be formed from legume sources other than soybean only after the partial removal of starch (in chickpea, mungbean and cowpea) or oil (in peanuts). Calcium sulphate was the best coagulant; optimum concentrations were 0.3% (0.02 M) of the milk; and optimal heating time was 15 min at 95°C. Stirring during coagulation aided formation of firmer gels. The rigidity moduli of the various curds were: soybean 51 000 N m −2 ; peanuts 2200 N m −2 ; chickpea 6000 N m −2 ; mungbean 11 000 N m −2 ; and, cowpea 29 000 N m −2 . Chickpea and mungbean curds were rated as liked (2.0 and 1.8 respectively), almost as well as soybean curds (1.5); cowpea (3.1) and peanut (4.2) curds were less preferred.
Modificación superficial de nano o micropartículas de óxido de zinc con aplicaciones fotoquímicas en poliolefinas. (2020)

En los ultimos anos la industria del cableado ha tenido que aditivar regularmente las formulaciones de cables debido a la radiacion electromagnetica sobre todo la que se encuentra en la region ultravioleta ya que esta tiene la energia suficiente para degradar los polimeros. Una alternativa para ello es el uso del oxido de zinc que ha sido empleado como estabilizador U.V. y como aditivo catalizador de la fotodegradacion. En diversos estudios se ha demostrado que el efecto deseado depende del tamano de las nanoparticulas de ZnO. Para lograr el efecto deseado es necesario realizar un proceso de compatibilizacion entre el polimero y la carga dado que por lo regular las nanoparticulas son incompatibles.

Para realizar lo anterior se llevaron a cabo varios experimentos para determinar la relacion adecuada precursor solvente para la obtencion de las nanoparticulas de oxido de zinc.
Tambien se llevaron a cabo varios tratamientos termicos para ver el crecimiento o disminucion del tamano de particula; ademas de la modificacion superficial del oxido de zinc con diferentes acidos grasos con el fin de ver la compatibilidad con una matriz polimerica base polietileno. 

Para conocer el porcentaje de organico eliminado durante el tratamiento termico se realizo el analisis de muestras por las tecnicas de Termogravimetria (TGA). Para conocer los cambios en la estructura quimica de las muestras antes y despues de la modificacion superficial se llevo a cabo un estudio por espectroscopia de infrarrojo (FT-IR). Ademas, se realizo su estudio por espectroscopia de UV-Visible (UV-Vis) a fin de obtener informacion de las propiedades opticas de las muestras. A fin de conocer las propiedades mecanicas del material cuando es sometido a esfuerzos de traccion se realizo la prueba de resistencia a la tension. Para obtener informacion de la superficie de las muestras y como se disperso el ZnO en la matriz polimerica se realizo un analisis por microscopia
electronica de barrido (SEM). Por ultimo, para obtener informacion morfologica y cristalografica de las nps se realizo el analisis por medio de la tecnica de microscopia electronica de transmision (TEM). 

De estos analisis se concluyo que se pueden sintetizar particulas de oxido de zinc por el metodo sol-gel con un control de tamano, que el tratamiento termico en el oxido de zinc ayuda a controlar el tamano de la particula y tambien ayuda en el crecimiento de esta. La modificacion superficial no afecta las propiedades opticas de las Nps de ZnO e incrementa la compatibilidad de estas con la matriz polimerica y que el efecto fotocatalitico se
presenta en muestras donde la particula es de menor tamano y el efecto fotoestabilizador se presenta en particulas de mayores dimensiones.
Crop Productivity and Photoassimilate Partitioning (1984)

The photosynthetic basis for increasing the yield of major field crops is examined in terms of improving the interception of seasonal solar radiation by crop foliage, the efficiency of conversion of intercepted light to photosynthetic assimilates, and the partitioning of photoassimilates to organs of economic interest. It is concluded that, in practice, genetic and chemical manipulation of light interception over the season and of partitioning offer the most potential for achieving further increases in yield. During the history of improvement of genetic yield potential of crops, increase in the partitioning of photoassimilates to harvested organs has been of primary importance.
3D Microprinting: Template‐Free 3D Microprinting of Metals Using a Force‐Controlled Nanopipette for Layer‐by‐Layer Electrodeposition (Adv. Mater. 12/2016) (2016)

On page 2311, T. Zambelli and co-workers present a novel 3D-printing method for voxel-by-voxel metal printing. Metal ions are supplied locally in an electrochemical cell by hollow atomic force microscopy cantilevers, which enables a localized electroplating reaction. Electrochemical 3D metal printing is demonstrated in a layer by layer fashion, which enables the fabrication of arbitrary-shaped geometries.
Mutational Analysis of Genes Encoding the Early Flagellar Components of Helicobacter pylori : Evidence for Transcriptional Regulation of Flagellin A Biosynthesis (2000)

We investigated the roles of fliF, fliS, flhB, fliQ, fliG, and fliI of Helicobacter pylori, predicted by homology to encode structural components of the flagellar basal body and export apparatus. Mutation of these genes resulted in nonmotile, nonflagellate strains. Western blot analysis showed that all the mutants had considerably reduced levels of both flagellin subunits and of FlgE, the flagellar hook protein. RNA slot blot hybridization showed reduced levels of flaA mRNA, indicating that transcription of the major flagellin gene is inhibited in the absence of the early components of the flagellar-assembly pathway. This is the first demonstration of a checkpoint in H. pylori flagellar assembly.
Vibration Suppression Control Using Resonance Frequency Damping Disturbance Observer for Robot Servo System (2020)

To suppress the residual vibration of the resonance frequency of a three-inertia system, this paper proposes a current control system that has a resonance damping structure focusing on the vibration modes of the three-inertia system. Because the conventional position/velocity control system based on the two-inertia model focuses only on the primary resonance frequency, its residual vibration is induced by using the conventional control system based on a two-inertia model as against the three-inertia system. The conventional current control system does not include a resonance damping structure. The proposed current control system damps the secondary resonance frequency of the three-inertia system, whereas the ordinary position/velocity control system suppresses the primary resonance frequency of the three-inertia system. The effectiveness of the position/velocity control system using the proposed current control is confirmed through experiments.
Automatic Synthesis of Geometry Problems for an Intelligent Tutoring System (2015)

This paper presents an intelligent tutoring system, GeoTutor, for Euclidean Geometry that is automatically able to synthesize proof problems and their respective solutions given a geometric figure together with a set of properties true of it. GeoTutor can provide personalized practice problems that address student deficiencies in the subject matter.
Preparations of pure amlodipine enantiomers by lipase resolution (2005)

Amlodipin pripada skupini 1, 4-dihidropiridinskih biolosko aktivnih spojeva, a veoma je uspjesan lijek protiv koronarnih bolesti koji se vec niz godina nalazi među desetak lijekova s najvecom upotrebom i zaradom na svjetskom tržistu. Za S-enantiomer amlodipina je poznato da je kao antihipertenziv neusporedivo aktivniji od odgovarajuceg R-enantiomera, međutim, na tržistu se taj lijek jos uvijek nalazi iskljucivo kao racemat. Jedan od razloga za to je nedostatak kvalitetnih metoda njegove priprave. Lipazama katalizirano aciliranje se cesto koristi za resoluciju primarnih amina, ali te reakcije su zbog velike nukleofilnosti amina mnogo osjetljivije nego kada se radi s alkoholima. Iz tog razloga nije do sada u literaturi zabilježen nijedan pokusaj direktne enzimske resolucije enantiomera amlodipina. Ispitan je set od 25 razlicitih enzima u resoluciji racemicnog amlodipina putem amonolize acetatnih estera. Nakon iscrpnih ispitivanja utvrđeno je da su dvije lipaze, Pseudomonas cepacia i Candida antarctica B, pogodne za visoko enantioselektivnu resoluciju racemicnog amlodipina s acetatnim esterima. Usporedbom dobivenih produkata sa standardom poznate apsolutne konfiguracije, utvrđeno je da P. cepacia konvertira S-enantiomer amlodipina, a zaostaje neizreagirani R-amlodipin. Suprotno, uz Candida antarctica lipazu B nastaje R-acetamidni derivat amlodipina, uz neizreagirani S-amlodipin. Ove reakcije predstavljaju prvu poznatu metodu priprave oba enantiomera amlodipina visoke enantiomerne cistoce upotrebom lipaza.
Antibacterial activity and therapeutic efficacy of&nbsp;Fl-PRPRPL-5, a cationic amphiphilic polyproline helix, in a mouse model of staphylococcal skin infection (2015)

The antibacterial activities and therapeutic efficacy of the cationic, unnatural proline-rich peptide Fl-P(R)P(R)P(L)-5 were evaluated against multidrug-resistant Staphylococcus aureus in a mouse model of skin infection. Fl-P(R)P(R)P(L)-5 showed potent activity against all clinical isolates of S. aureus tested, including methicillin- and vancomycin-resistant S. aureus (MRSA and VRSA, respectively). Fl-P(R)P(R)P(L)-5 was also superior in clearing established in vitro biofilms of S. aureus and Staphylococcus epidermidis, compared with the established antimicrobials mupirocin and vancomycin. Additionally, topical treatment of an MRSA-infected wound with Fl-P(R)P(R)P(L)-5 enhanced wound closure and significantly reduced bacterial load. Finally, 0.5% Fl-P(R)P(R)P(L)-5 significantly reduced the levels of the inflammatory cytokines tumor necrosis factor-α (TNF-α), interleukin-6 (IL-6), and interleukin-1 beta (IL-1β) in wounds induced by MRSA skin infection. In conclusion, the results of this study suggest the potential application of Fl-P(R)P(R)P(L)-5 in the treatment of staphylococcal skin infections.
Identification of BRAF Inhibitors through In Silico Screening (2008)

The BRAF protein kinase, a molecule in the RAS-RAF-MEK-ERK signaling pathway, is mutated to harbor elevated kinase activity in approximately 7% of human cancers, which makes it an important therapeutic target for inhibition. Several BRAF protein-kinase inhibitors have been developed through high-throughout screening in vitro; however, many of these compounds suffer from a lack of suitable kinase specificity and other chemotherapeutic properties. In silico screening has evolved as a powerful complimentary approach to protein-kinase inhibitor identification. Here we describe an in silico screen for BRAF inhibitors that leads to the identification of a series of purine-2,6-dione analogues with IC50 values in the single-digit micromolar range and with significant selectivity for BRAF over other representative protein kinases. The binding modes of these inhibitors to BRAF are analyzed through molecular docking to derive structure-activity relationships and to assist in the future development of more potent and more specific BRAF inhibitors.
Abstract LB-203: Phase I/II study of the androgen receptor antagonist MDV3100 in castration-resistant prostate cancer (2008)

Abstract Introduction: Overexpression of the androgen receptor (AR) is believed to contribute to the progression of CRPC. MDV3100 is a small molecule AR antagonist with a novel mechanism of action that blocks nuclear translocation of AR, DNA binding, and has no agonist activity when AR is overexpressed. MDV3100 has been shown to be effective in preclinical models of CRPC. In July 2007, a multi-center first-in-man Phase 1-2 trial was initiated to determine safety, pharmacokinetics (PK), and antitumor activity including effects on prostate-specific antigen (PSA), bone and soft tissue metastases, and in selected pts fluorodeoxyglucose (FDG) and fluorodihydrotestosterone (FDHT) uptake by positron emission tomography (PET). Methods: Pts were administered MDV3100 orally, once daily, starting at 30 mg with sequential escalations in cohorts of 3 pts. Enrollment was expanded at 60 mg and above to include up to 12 chemotherapy-naïve and 12 post-chemotherapy pts, once the safety of a dose was established. PK parameters for the dose-escalation cohorts were estimated using a 2-compartment model. Results: 85 pts have been enrolled to date on doses up to 240 mg. 21 pts at 60 mg, and 22 pts at 150 mg have been followed for 12+ and 8+ weeks respectively. MDV3100 has been well-tolerated without dose-limiting toxicity. PK were dose-linear with a half-life of approximately one week. At doses of 30, 60, 150, and 240 mg, geometric mean steady state Cmax values were 2.8, 6.1, 17.3, and 23.7 µg/mL and AUC24hr were 61, 120, 361, and 480 µg*hr/mL, respectively. Effective AR blockade by MDV3100 has been shown by PSA declines and by PET findings. Evaluation at the 12 week timepoint for 21 pts at 60 mg showed 9 pts (43%) had &amp;gt;50% decline in PSA from baseline. To date, 8 pts have had FDG and FDHT PET at baseline of whom 4 have had 1 or more follow-up scans. All 8 had abnormal FDHT accumulation at baseline while 4 of 4 with follow-up scans had no FDHT accumulation. Conclusions: MDV3100 is a novel AR antagonist in clinical investigation. The observed PSA declines are consistent with the inhibition of AR signaling. The inhibition of FDHT accumulation demonstrates receptor blockade in vivo. MDV3100 has been well-tolerated to date and appears to be a promising candidate for the treatment of CRPC. Pt follow-up and dose escalation are continuing. The analysis of the association between PSA declines and clinical outcomes is ongoing and will be reported at a future date.
Rapid method for the quantification of hydroquinone concentration: chemiluminescent analysis (2015)

Topical hydroquinone serves as a skin whitener and is usually available in cosmetics or on prescription based on the hydroquinone concentration. Quantification of hydroquinone content therefore becomes an important issue in topical agents. High-performance liquid chromatography (HPLC) is the commonest method for determining hydroquinone content in topical agents, but this method is time-consuming and uses many solvents that can become an environmental issue. We report a rapid method for quantifying hydroquinone content by chemiluminescent analysis. Hydroquinone induces the production of hydrogen peroxide in the presence of basic compounds. Hydrogen peroxide induced by hydroquinone oxidized light-emitting materials such as lucigenin, resulted in the production of ultra-weak chemiluminescence that was detected by a chemiluminescence analyzer. The intensity of the chemiluminescence was found to be proportional to the hydroquinone concentration. We suggest that the rapid (measurement time, 60 s) and virtually solvent-free (solvent volume, <2 mL) chemiluminescent method described here for quantifying hydroquinone content may be an alternative to HPLC analysis.
SYSid−audio band measurement and analysis system (1992)

SYSid stands for SYStem IDentification. The software package runs on a DOS platform with the Ariel DSP-16+ installed. The basic concept of SYSid operation is simple. SYSid generates a stimulus (i.e., chirp, tones, user-defined, etc.) and synchronously averages the measured response. It is important to synchronously average a system response in order to obtain accurate phase information. SYSid then uses FFT techniques to deconvolve the stimulus from the measured response and to further analyze the data. From this basic mode of operation SYSid can perform many types of analyses including phase responses, group delay, impulse response, Hilbert envelope, reverse energy time curve, RT60, waterfall displays, electrical impedance, etc. In addition to these linear measurements, SYSid also provides the capabilities to make distortion measurements due to nonlinearities in the system. These include harmonic distortion, intermodulation distortion, THD+N, and input–output functions. With the current incarnation of SYSid each channel can be up to 32k sample points. Each channel is 16 bits and can be sampled at a maximum rate of 50 kHz. Examples of measurements made in areas of room acoustics, transducer design, and auditory physiology will be presented.
Invariant NKT cells metabolically adapt to the acute myeloid leukaemia environment (2022)

Acute myeloid leukaemia (AML) creates an immunosuppressive environment to conventional T cells through Arginase 2 (ARG2)-induced arginine depletion. We identify that AML blasts release the acute phase protein serum amyloid A (SAA), which acts in an autocrine manner to upregulate ARG2 expression and activity, and promote AML blast viability. Following in vitro cross-talk invariant natural killer T (iNKT) cells become activated, upregulate mitochondrial capacity, and release IFN-γ. iNKT retain their ability to proliferate and be activated despite the low arginine AML environment, due to the upregulation of Large Neutral Amino Acid Transporter-1 (LAT-1) and Argininosuccinate Synthetase 1 (ASS)-dependent amino acid pathways, resulting in AML cell death. T cell proliferation is restored in vitro and in vivo. The capacity of iNKT cells to restore antigen-specific T cell immunity was similarly demonstrated against myeloid-derived suppressor cells (MDSCs) in wild-type and Jα18<sup>-/-</sup> syngeneic lymphoma-bearing models in vivo. Thus, stimulation of iNKT cell activity has the potential as an immunotherapy against AML or as an adjunct to boost antigen-specific T cell immunotherapies in haematological or solid cancers.
Top-emitting micromechanical VCSEL with a 31.6-nm tuning range (1998)

We report a top-emitting micromechanical vertical-cavity surface-emitting laser (VCSEL) with a continuously tunable wavelength range of 31.6 nm, the widest tuning range demonstrated by a VCSEL to date. Good laser characteristics are maintained throughout the tuning range centered at 935 nm: continuous-wave (CW) threshold occurs between 1.24.5 mA while output power at 10-mA DC bias remains between 0.5 and 1.6 mW. By analyzing the pulsed differential quantum efficiency as a function of emission wavelength, we conclude that tilt loss from the cantilever design does not significantly affect the tuning range or laser performance.
Near-field optical studies of semicontinuous metal films (2001)

Local field distributions in random metal-dielectric films near a percolation threshold are experimentally studied using scanning near-field optical microscopy (SNOM). The surface-plasmon oscillations in such percolation films are localized in small nanometer-scale areas, ``hot spots,'' where the local fields are much larger than the field of an incident electromagnetic wave. The spatial positions of the hot spots vary with the wavelength and polarization of the incident beam. Local near-field spectroscopy of the hot spots is performed using our SNOM. It is shown that the resonance quality-factor of hot spots increases from the visible to the infrared. Giant local optical activity associated with chiral plasmon modes has been obtained. The hot spot's large local fields may result in local, frequency and spatially selective photomodification of percolation films.
In Situ Solid-State 13C NMR Observation of Pore Mouth Catalysis in Etherification of β-Citronellene with Ethanol on Zeolite Beta (2016)

The reaction mechanism of etherification of β-citronellene with ethanol in liquid phase over acid zeolite beta is revealed by in situ solid-state (13)C NMR spectroscopy. Comparison of (13)C Hahn-echo and (1)H-(13)C cross-polarization NMR characteristics is used to discriminate between molecules freely moving in liquid phase outside the zeolite and molecules adsorbed inside zeolite pores and in pore mouths. In the absence of ethanol, β-citronellene molecules enter zeolite pores and react to isomers. In the presence of ethanol, the concentration of β-citronellene inside zeolite pores is very low because of preferential adsorption of ethanol. The etherification reaction proceeds by adsorption of β-citronellene molecule from the external liquid phase in a pore opening where it reacts with ethanol from inside the pore. By competitive adsorption, ethanol prevents the undesired side reaction of β-citronellene isomerization inside zeolite pores. β-citronellene etherification on zeolite beta is suppressed by bulky base molecules (2,4,6-collidine and 2,6-ditertiarybutylpyridine) that do not enter the zeolite pores confirming the involvement of easily accessible acid sites in pore openings. The use of in situ solid-state NMR to probe the transition from intracrystalline catalysis to pore mouth catalysis depending on reaction conditions is demonstrated for the first time. The study further highlights the potential of this NMR approach for investigations of adsorption of multicomponent mixtures in general.
Recording CD-R up to 56x (2003)

The most important performance parameter for CD-R recording is the recording speed. We have achieved recording speeds of up to 56X on CD-R with a data-to-data jitter of 25 ns that is well within Orange Book specification. This jitter is achieved at zero asymmetry and with a write power margin of 20% of the optimum recording power. In this paper, we present results on a number of CD-R media. Furthermore, we discuss the influence of write strategy parameters, such as laser power level, laser pulse length, pulse shape, etc., on the recording performance of high speed CD-R.