gebhart/patrepeval huggingface dataset:
An Evaluation of Harmonic Vibrational Frequency Scale Factors (2007)

Scale factors for obtaining fundamental vibrational frequencies, low-frequency vibrational frequencies, zero-point vibrational energies (ZPVEs), and thermal contributions to enthalpy and entropy have been derived through a least-squares approach from harmonic frequencies determined at more than 100 levels of theory. Wave function procedures (HF, MP2, QCISD, QCISD(T), CCSD, and CCSD(T)) and a large and representative range of density functional theory (DFT) approaches (B3-LYP, BMK, EDF2, M05-2X, MPWB1K, O3-LYP, PBE, TPSS, etc.) have been examined in conjunction with basis sets such as 6-31G(d), 6-31+G(d,p), 6-31G(2df,p), 6-311+G(d,p), and 6-311+G(2df,p). The vibrational frequency scale factors were determined by a comparison of theoretical harmonic frequencies with the corresponding experimental fundamentals utilizing a standard set of 1066 individual vibrations. ZPVE scale factors were generally obtained from a comparison of the computed ZPVEs with experimental ZPVEs for a smaller standard set of 39 molecules, though the effect of expansion to a 48 molecule data set was also examined. In addition to evaluating the scale factors for a wide range of levels of theory, we have also probed the effect on scale factors of varying the percentage of incorporated exact exchange in hybrid DFT calculations using a modified B3-LYP functional. This has revealed a near-linear relationship between the magnitude of the scale factor and the proportion of exact exchange. Finally, we have investigated the effect of basis set size on HF, MP2, B3-LYP, and BMK scale factors by deriving values with basis sets ranging from 6-31G(d) up to 6-311++G(3df,3pd) as well as with basis sets in the cc-pVnZ and aug-cc-pVnZ series and with the TZV2P basis.
Localization of myotonic dystrophy protein kinase in human and rabbit tissues using a new panel of monoclonal antibodies (1998)

There is considerable confusion in the literature about the size of the myotonic dystrophy protein kinase (DMPK) and its localization within tissues. We have used a new panel of monoclonal antibodies (mAbs) to begin to resolve these issues, which are important for understanding the possible role of DMPK in myotonic dystrophy. Antisera raised against the catalytic and coil domains of DMPK recognized a major 55 kDa protein and a minor 72-80 kDa doublet on western blots of human skeletal muscle. Ten mAbs, five against the catalytic domain and five against the coil region, recognized only the 72-80 kDa doublet. The 72 kDa protein was present in all tissues tested, whereas the 80 kDa component was variably expressed, mainly in skeletal and cardiac muscles. The 72 kDa protein was absent in a DMPK knockout mouse and was greatly increased in a transgenic mouse overexpressing human DMPK, confirming its identity as authentic DMPK. Two mAbs against the catalytic domain recognized only the more abundant 55 kDa protein, which was found only in skeletal muscle. Nine out of 10 mAbs located DMPK to intercalated discs in human heart, an affected tissue in myotonic dystrophy. However, co-localization of DMPK with acetylcholine receptors at neuromuscular junctions was not observed with any of the mAbs. Subcellular fractionation and sedimentation analysis suggest that a major proportion of the DMPK in skeletal muscle and brain is cytosolic.
Changes in the expression of <i>N</i>‐acetylglucosaminyltransferase III, IV, V associated with the differentiation of HL‐60 cells (1987)

By use of a new assay method based on HPLC, GlcNAc-transferase III, IV and V activities were determined in HL-60 cells, differentiated HL-60 cells and normal myeloid cells. Differentiation along the monocytic lineage with 1 alpha,25-dihydroxyvitamin D3 resulted in increased GlcNAc-transferase IV and decreased GlcNAc-transferase III activity. Differentiation along the myeloid lineage with retinoic acid resulted in a decrease in GlcNAc-transferase III activity. Although differentiated HL-60 cells show a changed GlcNAc-transferase pattern, they do not resemble normal myeloid cells. Macrophages and granulocytes are characterized by a very low level of GlcNAc-transferase III activity whereas differentiated HL-60 cells still contain this activity. This is the first demonstration of GlcNAc-transferase IV and V activity in a human cell.
PRIM-9: An Interactive Multidimensional Data Display and Analysis System (1974)

PRIM-9 is an interactive data display and analysis system for the examination and dissection of multidimensional data. It allows the user to manipulate, and viewpoint sets in up to nine dimensions. This is accomplished by providing all 36 two-dimensional projections along the original axes at the push of a button, along with the ability to rotate the data to any desired orientation. These rotations are performed in real time and in a continuous manner under operator control. From the parallax effect, arising from the dynamic aspect of this continuous rotation, one perceives a third dimension (depth into the screen). PRIM-9 gives the operator the ability to perform manual projection pursuit. That is, by rotation and view change he can look at his data from all possible angles in the multidimensional space and try to find those that provide interesting structure. The system also allows inter active masking and isolation. The user can conveniently mask on any or all of the current variables, thus isolating interesting structures found along the way. These interesting structures can then be further analyzed alone or may be subtracted from the total sample to simplify the search for still other structures. In addition to this strategy, the user may invoke an automatic projection pursuit algorithm. Starting at any projection (view), this numerical algorithm will search (in much the same manner as a human operator) for those projections that provide interesting structure. The system also incorporates the ability to save either temporarily, or permanently, any interesting view that is found. The operator can return to these views at any later time or reproduce them on a hard copy device.
Cigarette Smoking and Changes in the Histopathology of Lung Cancer (1997)

The increase in lung adenocarcinoma since the 1950s is more consistent with changes in smoking behavior and cigarette design than with diagnostic advances.
A Crystallographic and Computational Study of a Diethyl Ether Complex of Fluorenyllithium (1998)

The structure of a diethyl ether (DEE) complex of fluorenyllithium, [Li(C13H9)(DEE)2], was investigated by X-ray crystallography and quantum chemical calculations. In the crystal structure, the lithium cation interacts in an η2-arrangement with the fluorenyl anion at distances of 2.26 and 2.31 Å away from C9 and C10. In contrast to the uncomplexed ion pair where recent calculations revealed that Li+ is situated over the five-membered ring, calculations at the B3LYP/6-31+G(d)//B3LYP/6-31G(d) level show that for the DEE-coordinated complex, the optimal structure resembles the X-ray structure. Since the η2-arrangement is the global minimum in both the solid state and gas phase, it was concluded that crystal packing is not the main factor that causes the lithium cation to change position when going from the uncomplexed to the DEE-complexed fluorenyllithium. A comparison with the smaller water-coordinated complex indicates that intramolecular steric interactions within the DEE-coordinated complex lead to an η2-arrangement instead.
Comparing perceptual learning across tasks: A review (2002)

We compared perceptual learning in 16 psychophysical studies, ranging from low-level spatial frequency and orientation discrimination tasks to high-level object and face-recognition tasks. All studies examined learning over at least four sessions and were carried out foveally or using free fixation. Comparison of learning effects across this wide range of tasks demonstrates that the amount of learning varies widely between different tasks. A variety of factors seems to affect learning, including the number of perceptual dimensions relevant to the task, external noise, familiarity, and task complexity.
Anaerobic and aerobic bacteriology of acute conjunctivitis. (1979)

Aerobic and anaerobic cultures and clinical data were obtained from 131 patients presenting with acute conjunctivitis. Similar cultures were obtained from 60 noninflamed individuals. Anaerobes were isolated from 66 patients, 51 times in mixed culture with aerobes and 15 times (11.5%) as the only isolates. Aerobes only were recovered in 54 patients. The organisms found to be statistically significantly more commonly recovered from eyes with conjunctivitis were Staphylococcus aureus, Hemophilus influenzae, Peptostreptococcus, and Propionibacterium acnes. No statistical difference was present between the bacterial flora of the eyes with unilateral conjunctivitis when compared to their uninvolved mates in 20 cases in which only one eye was involved.
Metabolite fingerprinting of urine suggests breed-specific dietary metabolism differences in domestic dogs (2009)

Selective breeding of dogs has culminated in a large number of modern breeds distinctive in terms of size, shape and behaviour. Inadvertently, a range of breed-specific genetic disorders have become fixed in some pure-bred populations. Several inherited conditions confer chronic metabolic defects that are influenced strongly by diet, but it is likely that many less obvious breed-specific differences in physiology exist. Using Labrador retrievers and miniature Schnauzers maintained in a simulated domestic setting on a controlled diet, an experimental design was validated in relation to husbandry, sampling and sample processing for metabolomics. Metabolite fingerprints were generated from 'spot' urine samples using flow injection electrospray MS (FIE-MS). With class based on breed, urine chemical fingerprints were modelled using Random Forest (a supervised data classification technique), and metabolite features (m/z) explanatory of breed-specific differences were putatively annotated using the ARMeC database (http://www.armec.org). GC-MS profiling to confirm FIE-MS predictions indicated major breed-specific differences centred on the metabolism of diet-related polyphenols. Metabolism of further diet components, including potentially prebiotic oligosaccharides, animal-derived fats and glycerol, appeared significantly different between the two breeds. Analysis of the urinary metabolome of young male dogs representative of a wider range of breeds from animals maintained under domestic conditions on unknown diets provided preliminary evidence that many breeds may indeed have distinctive metabolic differences, with significant differences particularly apparent in comparisons between large and smaller breeds.
A New Assay Method for DNase by Fluorescence Polarization and Fluorescence Intensity Using DNA-Ethidium Bromide Complex as a Sensitive Substrate1 (1982)

The fluorescence polarization method was applied for the determination of DNase-activity using ethidium bromide-labeled DNA as a substrate. This assay was based on a decrease in fluorescence intensity or fluorescence polarization value, which reflected degraded molecular size resulting from the specific cleavage of DNA by the enzyme. DNase activity was quantitatively determined above 0.1 ng/ml of the enzyme. A decrease in fluorescence intensity or polarization value brought about by DNase was inhibited by the specific inhibitors of DNase such as EDTA, pyrophosphate, and thymidine-3',5'-diphosphate. In addition, specificity of the change of polarization value was established using other enzymes. Since this method was simple, rapid and sensitive, it is applicable for both quantitative and qualitative assays as well as for the kinetic analysis of the enzyme.
Bounds on List Decoding of Rank-Metric Codes (2013)

So far, there is no polynomial-time list decoding algorithm (beyond half the minimum distance) for Gabidulin codes. These codes can be seen as the rank-metric equivalent of Reed-Solomon codes. In this paper, we provide bounds on the list size of rank-metric codes in order to understand whether polynomial-time list decoding is possible or whether it works only with exponential time complexity. Three bounds on the list size are proven. The first one is a lower exponential bound for Gabidulin codes and shows that for these codes no polynomial-time list decoding beyond the Johnson radius exists. Second, an exponential upper bound is derived, which holds for any rank-metric code of length n and minimum rank distance d. The third bound proves that there exists a rank-metric code over \BBFq <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">m</sup> of length n ≤ m such that the list size is exponential in the length for any radius greater than half the minimum rank distance. This implies that there cannot exist a polynomial upper bound depending only on n and d similar to the Johnson bound in Hamming metric. All three rank-metric bounds reveal significant differences to bounds for codes in Hamming metric.
Moyamoya Disease Associated with Persistent Primitive Hypoglossal Artery (2001)

An 8-year-old boy presenting with a transient weakness of the left extremities had a rare association of moyamoya disease and persistent primitive hypoglossal artery (PPHA). Digital subtraction angiography demonstrated intracranial moyamoya vessels and a PPHA on the right side. There was collateral blood flow from the posterior circulation to the anterior circulation, with the PPHA functioning as a blood supplier vessel. The patient underwent multiple burr hole formation, and neovascularization via the burr holes was observed on follow-up angiography. In this case, blood flow into the posterior circulation via the PPHA, which served as the collateral vessel to the moyamoya phenomenon, may have disturbed the spontaneous closure of the PPHA. Thus, this case serves as a basis for studying important pathogenic and embryological processes that contribute to the development of these vascular abnormalities.
Angiogenesis Inhibitor Epoxyquinol A:  Total Synthesis and Inhibition of Transcription Factor NF-κB (2002)

[reaction: see text] The asymmetric synthesis of the natural product (+)-epoxyquinol A (1) and related epoxyquinoid dimers, employing a cascade oxidation/electrocyclization/Diels-Alder dimerization sequence, is reported. In addition, we show that 1 and related molecules inhibit activation of the transcription factor NF-kappaB.
Small-footprint high-performance deep neural network-based speech recognition using split-VQ (2015)

Due to a large number of parameters in deep neural networks (DNNs), it is challenging to design a small-footprint DNN-based speech recognition system while maintaining a high recognition performance. Even with a singular value matrix decomposition (SVD) method and scalar quantization, the DNN model is still too large to be deployed on many mobile devices. Common practices like reducing the number of hidden nodes often result in significant accuracy loss. In this work, we propose to split each row vector of weight matrices into sub-vectors, and quantize them into a set of codewords using a split vector quantization (split-VQ) algorithm. The codebook can be fine-tuned using back-propagation when an aggressive quantization is performed. Experimental results demonstrate that the proposed method can further reduce the model size by 75% to 80% and save 10% to 50% computation on top of an already very compact SVD-DNN without a noticeable performance degradation. This results in a 3.2 MB-footprint DNN giving similar recognition performance as what a 59.1 MB standard DNN can achieve.
A tri-band Wilkinson power divider using extended T-shaped stubs (2011)

This paper presents a tri-band Wilkinson power divider. The proposed structure is derived from the conventional Wilkinson power divider by replacing the quarter-wavelength branch lines with the extended T-shaped short or open stubs. The first and the third operating frequencies of the proposed power divider can be flexibly controlled, while the second frequency is equal to the mean value of the other two frequencies. Both the power dividers using the extended T-shaped short and open stub structures are designed based on the derived equations and the frequency response characteristics are discussed. For verification, a short stub based tri-band Wilkinson power divider operating at 1.3, 3.0 and 4.7 GHz is fabricated and measured. The measurements are in good agreement with the simulations. The measured bandwidths of −20 dB isolation are 1.22–1.42 GHz, 2.92–3.18 GHz and 4.66–4.86 GHz, respectively. Over these three operating bandwidths, the measured return losses are better than −15 dB at all three ports.
Identification and Characterization of Small Molecule Inhibitors of a Plant Homeodomain Finger (2012)

A number of histone-binding domains are implicated in cancer through improper binding of chromatin. In a clinically reported case of acute myeloid leukemia (AML), a genetic fusion protein between nucleoporin 98 and the third plant homeodomain (PHD) finger of JARID1A drives an oncogenic transcriptional program that is dependent on histone binding by the PHD finger. By exploiting the requirement for chromatin binding in oncogenesis, therapeutics targeting histone readers may represent a new paradigm in drug development. In this study, we developed a novel small molecule screening strategy that utilizes HaloTag technology to identify several small molecules that disrupt binding of the JARID1A PHD finger to histone peptides. Small molecule inhibitors were validated biochemically through affinity pull downs, fluorescence polarization, and histone reader specificity studies. One compound was modified through medicinal chemistry to improve its potency while retaining histone reader selectivity. Molecular modeling and site-directed mutagenesis of JARID1A PHD3 provided insights into the biochemical basis of competitive inhibition.
Digital Holographic Display System with Large Screen Based on Viewing Window Movement for 3D Video Service (2014)

A holographic display system with a 22-inch LCD panel is developed to provide a wide viewing angle and large holographic 3D image. It is realized by steering a narrow viewing window resulting from a very large pixel pitch compared to the wave length of the laser light. Point light sources and a lens array make it possible to arbitrarily control the position of the viewing window for a moving observer. The holographic display provides both eyes of the observer with a holographic 3D image using two vertically placed LCD panels and a beam splitter to support the holographic stereogram.
Fermentation Studies with <i>Streptomyces niveus</i> (1956)

have been very encouraging.Pine blocks treated with ammoniacal solutions of acrylonitrile have shown com- plete resistance to three conunonly used test fungi in the soil-block test.Other treatments that do not rely on the toxicity of chemicals are possible and merit investigation.There is a real need in many instances for rot-proof and termite-proof wood that is free from impregnants that are likely to contaminate other materials.Further de- velopments in this type of treatment, therefore, can be anticipated. SUMMARYPreservative treatments of wood up to the present have been based almost entirely on the application of materials that are toxic to wood-destroying organisms.While the older preservatives still account for a high percentage of the total volume, there has been a de- cided increase in the use of several of the newer pre- servatives.The search for effective preservatives con- tinues, especially for chemicals that may be used to produce a clean, odorless, paintable wood product.A two-stage diffusion process called double diffusion was developed at the Forest Products Laboratory, and is giving promising results in field tests.The process consists of soaking green wood in two separate solutions of chemicals that diffuse into the wood and then react within the wood to deposit a toxic precipitate.An interesting application is in the treatment of cool- ing towers that have begun to decay.
Transfusion of Hydroxyethylated Amylopectin‐Protected Frozen Blood in Man (1979)

In man following the autologous transfusion of blood previously frozen with 14% low molecular weight-hydroxyethylated amylopectin (cryo-HES), the clearance of this material from the intravascular space was compound, and appeared to consist of exponential components. The overall half-life -- however, was 10.6 +/- 3.0 (SD) h. Approximately 17% of the total infused cryo-HES was excreted in the urine 1 h postinjection, and 40% by 72 h. The erythrocyte sedimentation rate (ESR) was not affected by the presence of this substance in the bloodstream of the recipient. The results indicate that cryo-HES is removed rapidly following the transfusion of blood previously frozen with this material.
An accurate logarithmic ratemeter for random pulses (1974)

Describes a new principle of obtaining an accurate wide range logarithmic response to random pulse rates. The logarithmic law is achieved by summing the averaged outputs of a chain of flip-flops which are all set (or reset) by the common train of random input pulses and which are reset (or set) by different but related clock rates obtained from clock frequency divider circuits. A practical log-ratemeter is described which utilises this principle and which illustrates the inherent simplicity, stability, wide range potential and designability of the circuit involved. This ratemeter uses transistor transistor logic and covers the range 1 to 10 <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">7</sup> counts per second.
Direct Analysis of <scp>RNA</scp> after Transfection (1996)

It is possible to transfect mammalian cells with a gene of interest and directly detect the RNA made from that gene 24 to 48 hr later. The ability to analyze the RNA directly allows mutation and functional analysis of an intact gene, as the promoter does not have to be subcloned. This technique is also essential when fusion genes are used. In order to be sure that the level of the reporter protein produced by a fusion gene provides an accurate measure of appropriately initiated RNA from the promoter under study, it is necessary to determine the amount and 5' end of the fusion message. An investigator who verifies this using direct RNA analysis can proceed with some confidence that the level of the reporter protein is a measure of promoter activity. The difficulty in directly analyzing RNA is that the sensitivity of detection is at the limits of present technology. Consequently, the transfection protocol, RNA preparation, and RNA analysis techniques all have to be working near optimum in order for an experiment to work. This overview discusses parameters that must be considered when directly analyzing RNA after a transfection: transfection efficiency, the method of preparation of the RNA, the method of analysis of RNA, and strength of the promoter.