gebhart/patrepeval huggingface dataset:
The Dynamics of Carbene Solvation:  An Ultrafast Study of p-Biphenylyltrifluoromethylcarbene (2008)

Ultrafast photolysis (lambda(ex) = 308 nm) of p-biphenylyltrifluoromethyl diazomethane (BpCN2CF3) releases singlet p-biphenylyltrifluoromethylcarbene (BpCCF3) which absorbs strongly at 385 nm in cyclohexane, immediately after the 300 fs laser pulse. The initial absorption maximum shifts to longer wavelengths in coordinating solvents (nitrile, ether, and alcohol). In low viscosity coordinating solvents, the initial absorption maximum further red shifts between 2 and 10 ps after the laser pulse. Similar effects are observed upon ultrafast photolysis of 2-fluorenyltrifluoromethyl diazomethane (FlCN2CF3) and therefore cannot be associated with torsional motion around the two phenyl rings of the biphenyl compound. Instead, the effect is attributed to the dynamics of solvation of the singlet carbene. The time constant of solvation in normal alcohols lengthens with solvent viscosity in a linear manner. Furthermore, the time constants of the red shift in methanol-O-d (16 ps), ethanol-O-d (26 ps), 2-propanol-OD (40 ps), and 2,2,2-trifluoroethanol-O-d (14 ps) are longer than those recorded in methanol (9.6 ps, KIE = 1.7), ethanol (14.3 ps, KIE = 1.8), 2-propanol (28 ps, KIE = 1.4), and 2,2,2-trifluoroethanol (4.4 ps, KIE = 3.2), which indicates that the solvent reorganization involves formation of hydrogen bonds. The kinetic data are consistent with motion of the solvent to achieve a specific interaction with the carbene, with the creation of a new hydrogen bond. The solvated carbene reacts with the solvent over tens, hundreds, and thousands of ps, depending upon the solvent.
On critical fluctuations of hydrogen in biaxial compressed ultra-thin V lattices (2003)

The role of the dimensionality and strain state of metallic lattices on the phase behavior of dissolved hydrogen was explored. Metallic superlattices with well defined hydrogen absorption potential on the nm scale, were utilized as test systems. The solubility isotherms of hydrogen in Fe/V(001), MoV/V(001), and Nb/W(110) superlattices were measured by a resistometric method, and the hydrogen-induced changes of the structures were measured by in-situ X-ray diffraction. In the V based superlattices, the long-ranged ordered bulk V hydride phase β-V2H is absent, which is attributed to the finite-size of V lattice. The intrinsic strain-state of the hydrogen dissolving layers was found to have a strong effect on the interaction between metal and hydrogen as well as on the hydrogen-hydrogen (H-H) interaction. For low hydrogen content in the V layers, the compressive strain resulted in a strong enhancement of the H-H interaction, while a tensile strain appeared to diminish the H-H interaction. This is due to different site occupancy of hydrogen for different strain states, which depending on the relation between the symmetries of hydrogen induced global and local strain fields, gives rise to different elastic H-H interaction. Moderately strained V layers exhibited a strong attractive H-H interaction over a broad concentration range. In the concentration ranges where attractive H-H interaction was established, the hydrogen atoms appeared to be strongly correlated on a microscopic length scale. In the Nb based superlattices, the critical temperature for the α–α’ transition was found to be suppressed as a result of the clamping of the film plane by the film-substrate coupling. An exception from this could be noticed when the intrinsic compressive strain were reduced.
Microbial identification by mass cataloging (2006)

The use of catalogs of compositions (masses) of characteristic oligoribonucleotides for microbial identification appears extremely promising. RNase T1 is more useful than ribonuclease A in generating characteristic masses, though RNase A produces oligomers which are more readily distinguished due to the large mass difference between A and G. Identification of multiple species in mixtures is also feasible. Practical applicability of the method depends on high performance mass spectrometric determination, and/or use of methods that increase the one dalton (Da) mass difference between uracil and cytosine.
Efeito da Aplicação de Trichoderma harzianum na Supressão de Doenças e no Desenvolvimento de Mudas de Eucalipto (2009)

As doencas que ocorrem em viveiros de mudas de eucalipto ocasionam perdas no sistema de producao, gerando prejuizos as empresas produtoras de mudas. As doencas mais comuns sao podridoes de estacas e manchas foliares. O objetivo do presente trabalho foi avaliar a acao do fungo Trichoderma harzianum no controle destas doencas e no desempenho das mudas de eucalipto. Os tratamentos consistiram na aplicacao do produto Trichodermil, a base de T. harzianum, em duas formulacoes – WP e SC. Os parâmetros avaliados foram: mancha foliar de Cylindrocladium, enraizamento de mudas, secamento de ponteiros, altura de parte aerea, comprimento de raizes, massas secas de parte aerea e raizes. Observou-se diminuicao da incidencia de manchas foliares ocasionadas por Cylindrocladium sp. nos tratamentos com Trichodermil, tanto WP como SC. Para as demais caracteristicas avaliadas, nao se observou efeito da aplicacao de Trichodermil.
Analytical Model for Calculating the Nonlinear Distortion in Silicon-Based Electro-Optic Mach–Zehnder Modulators (2013)

In this study, an analytical model for calculating the nonlinear harmonic/intermodulation distortion for RF signals in silicon-based electro-optic modulators is investigated by considering the nonlinearity on the effective index change curve with the operation point and the device structure simultaneously. Distortion expressions are obtained and theoretical results are presented showing that optimal modulator parameters can be found to linearize it. Moreover, the harmonic distortion of a 1 mm silicon-based asymmetric MZI is RF characterized and used to corroborate the theoretical results. Based on the present model, the nonlinear distortion in terms of bias voltage or operating wavelength is calculated and validated by comparing with the experimental data, showing a good agreement between measurements and theory. Analog photonic link quality parameter like carrier-to-distortion is one of the parameters that can be found with that model. Finally, the modulation depth is measured to assure that no over-modulation is produced.
Provably Good Codes for Hash Function Design (2009)

A new technique to lower-bound the minimum distance of certain types of quasi-cyclic codes with large dimension by reducing the problem to lower-bounding the minimum distance of a few significantly smaller codes has been developed. These codes have the property that they have extremely efficient software encoders. Using this technique, it is proved that a code which is similar to the SHA-1 (Secure Hash Algorithm, to be explained shortly) message expansion code has minimum distance 82, and that too in just the last 64 of the 80 expanded words. In fact, the proposed code has much greater distance than that of SHA-1 code, which makes our proposed hashing scheme robust against cryptographic attacks. The technique is further used to find the minimum weight of the SHA-1 code itself (25 in last 60 words), which was an open problem. Estimating minimum distance of a code given by its parity-check matrix is well known to be a hard problem. Our technique is expected to be helpful in estimating minimum distance of similar codes as well as in designing future practical cryptographic hash functions.
Supplementary Figure S1 from Functional Kinomics Identifies Candidate Therapeutic Targets in Head and Neck Cancer (2023)

&lt;p&gt;Figure S1. Plate layout for both primary validation screen and secondary assay&lt;/p&gt;
Convergent synthesis and ‘surface’ functionalization of a dendritic analog of poly(ethylene glycol) (1999)

S. M. Grayson, M. Jayaraman and J. M. J. Fréchet, Chem. Commun., 1999, 1329 DOI: 10.1039/A902340B
Chlamydia Infection and Lymphomas: Association Beyond Ocular Adnexal Lymphomas Highlighted by Multiple Detection Methods (2008)

This multiparametric approach shows, for the first time, that monocytes/macrophages are the carriers of Cp, Cp seems preferentially associated with lymphomas arising in organs primarily exposed to antigens. The clinical implications of these findings deserve to be prospectively investigated.
Structural and functional characterization explains loss of dNTPase activity of the cancer-specific R366C/H mutant SAMHD1 proteins (2021)

Elevated intracellular levels of dNTPs have been shown to be a biochemical marker of cancer cells. Recently, a series of mutations in the multifunctional dNTP triphosphohydrolase (dNTPase), sterile alpha motif and histidine-aspartate domain-containing protein 1 (SAMHD1), have been reported in various cancers. Here, we investigated the structure and functions of SAMHD1 R366C/H mutants, found in colon cancer and leukemia. Unlike many other cancer-specific mutations, the SAMHD1 R366 mutations do not alter cellular protein levels of the enzyme. However, R366C/H mutant proteins exhibit a loss of dNTPase activity, and their X-ray structures demonstrate the absence of dGTP substrate in their active site, likely because of a loss of interaction with the γ-phosphate of the substrate. The R366C/H mutants failed to reduce intracellular dNTP levels and restrict HIV-1 replication, functions of SAMHD1 that are dependent on the ability of the enzyme to hydrolyze dNTPs. However, these mutants retain dNTPase-independent functions, including mediating dsDNA break repair, interacting with CtIP and cyclin A2, and suppressing innate immune responses. Finally, SAMHD1 degradation in human primary-activated/dividing CD4+ T cells further elevates cellular dNTP levels. This study suggests that the loss of SAMHD1 dNTPase activity induced by R366 mutations can mechanistically contribute to the elevated dNTP levels commonly found in cancer cells.
Communication systems operating in the 60 GHz ISM band: Overview (2011)

This paper gives an overview of frequency regulation, standardization, and applications of 60 GHz communication systems. Based on forecasted developments of mobile IP traffic, the motivation for investigating circuits, and systems for the 60 GHz band is underlined. Some physical properties of 60 GHz radio waves are outlined and implications on potential applications are sketched. The current international and European frequency regulation aspects are presented. The main parameters of three different international standards are summarized and compared with each other. Details of channel spacing and channel bonding are given. Based on the investigation of different applications, the main system requirements are derived. Finally, some information on protocol issues and system integration aspects are given.
Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication (2020)

Abstract The COVID-19 pandemic, attributed to the SARS-CoV-2 coronavirus infection, resulted in millions infected worldwide and an immediate need for antiviral treatments. The main protease (M pro ) in SARS-CoV-2 is a viable drug target because of its essential role in the cleavage of the virus polypeptide and subsequent viral replication. Feline infectious peritonitis, a fatal infection in cats caused by a coronavirus, was successfully treated previously with a dipeptide-based protease inhibitor. Here we show this drug, GC376, and its analog GC373, are effective inhibitors of the M pro from both SARS-CoV and SARS-CoV-2 with IC 50 values in the nanomolar range. Crystal structures of the SARS-CoV and SARS-CoV-2 M pro with these inhibitors have a covalent modification of the nucleophilic Cys145. NMR analysis reveals that inhibition proceeds via reversible formation of a hemithioacetal. GC373 and GC376 are potent inhibitors of SARS-CoV-2 in cell culture, with EC 50 values near one micromolar and little to no toxicity. These protease inhibitors are soluble, non-toxic, and bind reversibly. They are strong drug candidates for the treatment of human coronavirus infections because they have already been successful in animals (cats). The work here lays the framework for their use in human trials for the treatment of COVID-19.
Supplementary Table 2A from Molecular Triage of Premalignant Lesions in Liquid-Based Cervical Cytology and Circulating Cell-Free DNA from Urine, Using a Panel of Methylated Human Papilloma Virus and Host Genes (2023)

&lt;p&gt;Dual Sequence capture of high risk HPV in TrDNA aligned to HPV 16 and HPV 18.&lt;/p&gt;
Biomimetic detection of aminoglycosidic antibiotics using polydiacetylene–phospholipids supramolecules (2012)

We rationally designed highly sensitive and selective polydiacetylene (PDA)-phospholipids liposomes for the facile detection of aminoglycosidic antibiotics. The detecting mechanism mimics the cellular membrane interactions between neomycin and phosphatidylinositol-4,5-bisphosphate (PIP(2)) phospholipids. The developed PDA-PIP(2) sensory system showed a detection limit of 61 ppb for neomycin and was very specific to aminoglycosidic antibodies only.
Parallel-recusive filter structures for the computation of discrete transforms (1997)

This interim final rule implements Section 716 of the National Defense Authorization Act for Fiscal Year 2013 which establishes a five year pilot program that would generally require TRICARE for Life beneficiaries to obtain all refill prescriptions for covered maintenance medications from the TRICARE mail order program or military treatment facility pharmacies. Covered maintenance medications are those that involve recurring prescriptions for chronic conditions, but do not include medications to treat acute conditions. Beneficiaries may opt out of the pilot program after one year of participation. This rule includes procedures to assist beneficiaries in transferring covered prescriptions to the mail order pharmacy program. This regulation is being issued as an interim final rule in order to comply with the express statutory intent that the program begin early in calendar year 2013. Public comments, however, are invited and will be considered for possible revisions to this rule for the second year of the program.
Forward error correction techniques in long-haul optical transmission systems (2002)

The use of forward error correction (FEC) provides significant coding gain, which has been used to demonstrate error-free transmission under severely-errored operating conditions, with high spectral efficiency, over distances exceeding 10,000 km, and at high bit rates. Recent experiments using FEC have demonstrated aggregate transmission capacity exceeding 2 Tb/s. FEC-coded transmission can tolerate a lower optical SNR on the line, which in turn reduces impairments induced by nonlinearities, with the net effect being an increase in the Q/sup 2/-factor when signal power is reduced.
Isolation of Bioactive Compounds from Aspergillus terreus. (2004)

Abstract For Abstract see ChemInform Abstract in Full Text.
Popularismo em Mãe Pobre de Carlos de Oliveira (2011)

In this article, we attempt to show that Mãe Pobre by Carlos de Oliveira constitutes an important aesthetic revolution as regards the rela-tionship between the high-brow and the popular culture: between the authorial poetry, which is inserted in the theoretical, ideological and supra-individual aesthetic framework of the Neo-realism, and the traditional poetry, which is an expression of the heritage, sensitivity, emotions, symbols and literary procedures of the community.
Chemical Activation of AgNO3 to Form Olefin Complexes Induced by Strong Coordinative Interactions with Phthalate Oxygens of Poly(ethylene phthalate) (2006)

AgNO3 is inactive as an olefin complexing agent and is not easily reduced to metallic silver. Poly(ethylene phthalate) (PEP) was used to induce the dissociation of AgNO3 into free ions, resulting in more active complexation with propylene. The free ion formation is mainly due to the strong interactions of silver ions with phthalate oxygens, as confirmed by Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). Furthermore, increased silver ion complexation with propylene in the electrolyte membrane of PEP/AgNO3 polymer was confirmed by the improved separation performance of propylene/propane mixtures, compared to a poly(2-ethyl-2-oxazoline) (POZ)/AgNO3 membrane. In addition, the separation performance for the former remained unchanging for a longer period of time than that for the latter.
Fe/Cr‐ and Co/Cr‐Mediated Catalytic Asymmetric 2‐Haloallylations of Aldehydes. (2005)

Abstract For Abstract see ChemInform Abstract in Full Text.
Superior time perception for lower musical pitch explains why bass-ranged instruments lay down musical rhythms (2014)

Significance To what extent are musical conventions determined by evolutionarily-shaped human physiology? Across cultures, polyphonic music most often conveys melody in higher-pitched sounds and rhythm in lower-pitched sounds. Here, we show that, when two streams of tones are presented simultaneously, the brain better detects timing deviations in the lower-pitched than in the higher-pitched stream and that tapping synchronization to the tones is more influenced by the lower-pitched stream. Furthermore, our modeling reveals that, with simultaneous sounds, superior encoding of timing for lower sounds and of pitch for higher sounds arises early in the auditory pathway in the cochlea of the inner ear. Thus, these musical conventions likely arise from very basic auditory physiology.
An 'HO-1 Transducer' Model of Developmental and Degenerative Brain Disorders (S15.006) (2013)

OBJECTIVE: To ascertain whether overexpression of the stress protein, heme oxygenase-1 (HO-1) in astroglia transduces ambient risk factors into clinically-relevant patterns of developmental and degenerative neuropathology.
Topics in 0--1 data (2002)

Large 0--1 datasets arise in various applications, such as market basket analysis and information retrieval. We concentrate on the study of topic models, aiming at results which indicate why certain methods succeed or fail. We describe simple algorithms for finding topic models from 0--1 data. We give theoretical results showing that the algorithms can discover the epsilon-separable topic models of Papadimitriou et al. We present empirical results showing that the algorithms find natural topics in real-world data sets. We also briefly discuss the connections to matrix approaches, including nonnegative matrix factorization and independent component analysis.
One-Pot Bromination and Dehydrobromination (2006)

The silica gel entrapped bromination reagent, pyridinium hydrobromide perbromide 1 (PHPB@s.g.), was prepared by treatment of 2-[2-(trimethoxysilyl)ethyl]pyridine with concentrated hydrobromic acid and bromine followed by hydrolysis and co-condensation with tetra­methoxysilane (TMOS). The entrapped reagent 1 was used for the bromination of alkenes, ketones, and arenes (eq. 1), and was recycled four times with recharge of bromine. One-pot bromination and dehydrobromination processes were achieved by use of 1 and a silica gel entrapped guanidine base 2 (TBD@s.g.) which was prepared from 1,5,7-triaza­bicyclo[4.4.0]dec-5-ene (TBD) via similar silica sol-gel entrapping to give vinyl bromides or ace­tylenes (eq. 2).
Automatic blood pool identification in contrast ultrasound using principal component analysis (2014)

Several cardiovascular parameters of clinical interest can be assessed by indicator dilution techniques. Ultrasound contrast agents have been proposed as non-invasive indicator, showing promising results for blood volume estimation. However, the definition of an optimal region of interest for quantification of the indicator remains a critical step in the procedure, usually performed manually. In this work we present an automatic method to extract indicator dilution curves. Dimensionality reduction is achieved by principal component analysis followed by clustering to identify the different regions of interest. The method is evaluated on in vitro and in vivo datasets, compared to manually defined regions. The average difference was −3.47% ± 3.58% for in vitro volume estimates and the error was 1.29% ± 2.54% for trans-pulmonary mean transit time estimation. The new method allows kinetic parameter estimates in close agreement with those obtained manually; therefore it is a promising alternative for indicator dilution curve extraction.
Cerium-doped lutetium oxyorthosilicate: a fast, efficient new scintillator (2002)

A new single-crystal inorganic scintillator, cerium-doped lutetium oxyorthosilicate (Lu/sub 2(1-x)/)Ce/sub 2x/(SiO/sub 4/)O or LSO, which has a number of advantages over existing scintillators has recently been discovered. It has a scintillation emission intensity which is approximately 75% of Na(Tl) with a decay time of approximately 40 ns. The peak emission wavelength is 420 nm. It has a very high gamma-ray detection efficiency due to its density of 7.4 g/cm/sup 3/ and its effective atomic number of 66. Its radiation length of 1.14 cm is only slightly longer than that of BGO (1.12 cm). Due to its unique combination of high emission intensity, speed, and high density and atomic number, LSO appears to be an attractive candidate for diverse applications, including medical imaging, high-energy physics experiments, and geophysical exploration.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
CONTRIBUTION OF DNA COPY-NUMBER VARIATION (CNV) TO CANCER SUSCEPTIBILITY AND LARGE-SCALE GENOME ALTERATIONS IN OSTEOSARCOMA (OS) (2008)

Introduction: OS, a common Li-Fraumeni syndrome (LFS)-associated neoplasm, is a common bone malignancy of children and adolescents. Sporadic OS is also characterized by young age of onset and high genomic instability, suggesting a genetic contribution to disease. This study examined the contribution of novel DNA structural variation elements, CNVs, to OS susceptibility. Given our finding of excessive constitutional DNA CNV in LFS patients, which often coincide with cancer-related genes, we hypothesized that constitutional CNV may also provide clues about the aetiology of LFS-related sporadic neoplasms like OS. Methods: CNV in blood DNA of 26 patients with sporadic OS was compared to that of 263 normal control samples from the International HapMap project, as well as 62 local controls. Analysis was performed on DNA hybridized to Affymetrix genome-wide human SNP array 6.0 by Partek Genomic Suite. Results: There was no detectable difference in average number of CNVs, CNV length, and total structural variation (product of average CNV number and length) between individuals with OS and controls. While this data is preliminary (small sample size), it argues against the presence of constitutional genomic instability in individuals with sporadic OS. Conclusion: We found that the majority of tumours from patients with sporadic OS show CN loss at chr3q13.31, raising the possibility that chr3q13.31 may represent a “driver” region in OS aetiology. In at least one OS tumour, which displays CN loss at chr3q13.31, we demonstrate decreased expression of a known tumour suppressor gene located at chr3q13.31. We are investigating the role ofchr3q13.31 in development of OS.