gebhart/patrepeval huggingface dataset:
5,5′-Substituted Indirubin-3′-oxime Derivatives as Potent Cyclin-Dependent Kinase Inhibitors with Anticancer Activity (2010)

To enhance the ability of indirubin derivatives to inhibit CDK2/cyclin E, a target of anticancer agents, we designed and synthesized a new series of indirubin-3'-oxime derivatives with combined substitutions at the 5 and 5' positions. A molecular docking study predicted the binding of derivatives with OH or halogen substitutions at the 5' position to the ATP binding site of CDK2, revealing the critical interactions that may explain the improved CDK2 inhibitory activity of these derivatives. Among the synthesized derivatives, the 5-nitro-5'-hydroxy analogue 3a and the 5-nitro-5'-fluoro analogue 5a displayed potent inhibitory activity against CDK2, with IC(50) values of 1.9 and 1.7 nM, respectively. These derivatives also showed antiproliferative activity against several human cancer cell lines, with IC(50) values of 0.2-3.3 microM. A representative analogue, 3a, showed greater than 500-fold selectivity for CDK relative to selected kinase panel and potent in vivo anticancer activity.
Tropical vegetable fats and butters: properties and new alternatives (2009)

Tropical fats and butters are characterized by their high contents of saturated fatty acids, which confer to them melting points and rheological properties adequate for the production of high valuable food commodities. We can distinguish 3 groups of tropical fats: those having medium chain fatty acids, like coconut or palm kernel oils, those rich in palmitic acid, like palm oil and its fractions, and those rich in stearic acid like cocoa butter. Modern biotechnology has provided with alternatives to these species in engineered common oil crops enriched in saturated fatty acids and processes aimed to enrich common oils in disaturated TAGs by enzymatic transesterification. The present and future of these new sources of saturated fats are discussed in this work.
Cloning and characterization of a cDNA encoding diacylglycerol acyltransferase from castor bean (2004)

The oil from castor seed (Ricinus communis) contains 90% ricinoleate, a hydroxy FA that is used in producing numerous industrial products. Castor diacylglycerol acyltransferase (RcDGAT) is a critical enzyme, as it catalyzes the terminal step in castor oil biosynthesis in which the products contain two or three ricinoleoyl moieties. We have isolated a cDNA encoding RcDGAT from developing castor seeds. Analysis of the sequence reveals that this cDNA encodes a protein of 521 amino acids with a molecular mass of 59.9 kDa. Although there are regions of high similarity to other plant DGAT coding sequences, there are sequences that distinguish it as well. Southern blot analysis suggests that the castor genome contains a single copy of RcDGAT. Analysis by reverse transcription-PCR reveals that the accumulation of the mRNA reaches its highest level at 19 d after pollination and declines thereafter. Expression of the full-length cDNA for RcDGAT in the yeast Saccharomyces cerevisiae, strain INVSc1 results in sevenfold higher DGAT activity compared with controls. When different molecular species of DAG were provided as substrates to the microsomal mixture, the RcDGAT showed a greater preference to catalyze the transfer of oleate from [14C]oleoyl-CoA to diricinolein than to diolein and dipalmitolein. With the addition of 0.25 mM substrates, diricinolein gave 318 pmol/mg/min diricinoleoyloleoylglycerol (RRO), while diolein and dipalmitolein gave only about 195 pmol/mg/min of triolein (OOO) and 120 pmol/mg/min dipalmitoyleoylglycerol (PoPoO), respectively. This work will facilitate investigation of the role of RcDGAT in castor oil biosynthesis.
Design and evaluation of an algorithm for detecting current transformer saturation (2004)

When the magnetic circuit of a conventional protection current transformer (CT) enters saturation, the wave-shape of the secondary current distorts due to the increase in the excitation current. The distortion can be detected by analysing the secondary current using an algorithm that evaluates the first, second and third difference functions. The first difference contains points of inflection, which correspond to the start and end of each saturation period. The second and third differences convert the discontinuities at the points of inflection into pulses that can be used to detect saturation. The design and evaluation of an algorithm for detecting CT saturation using the third difference function is described. A low-pass filter, required for anti-aliasing and noise rejection, softens the discontinuities and reduces the magnitude of the pulses seen in the second and third difference signals. The softening effect is pronounced when the cut-off frequency of the filter is reduced. The sampling rate of 64 samples/cycle is used and the currents are passed through a first-order low-pass RC anti-aliasing filter with a cut-off frequency of from 1920 to 480 Hz. Experimental test results clearly demonstrate that the algorithm successfully detects the start and end of each saturation period. Results are obtained when a prototype detector based on a digital signal processor was used on a high current test-rig. Results indicate that the detector can correctly detect when the secondary current signal is distorted and in all the test cases the detector operated correctly.
A β-diketiminate manganese catalyst for alkene hydrosilylation: substrate scope, silicone preparation, and mechanistic insight (2018)

The dimeric β-diketiminate manganese hydride compound, [(<sup>2,6-iPr2Ph</sup>BDI)Mn(μ-H)]<sub>2</sub>, was prepared by treating [(<sup>2,6-iPr2Ph</sup>BDI)Mn(μ-Cl)]<sub>2</sub> with NaEt<sub>3</sub>BH. This compound was characterized by single crystal X-ray diffraction and found to feature high-spin Mn centres that exhibit strong magnetic coupling by EPR spectroscopy. Once characterized, [(<sup>2,6-iPr2Ph</sup>BDI)Mn(μ-H)]<sub>2</sub> was found to mediate the hydrosilylation of a broad scope of alkenes at elevated temperature. Aliphatic alkenes were found to undergo anti-Markovnikov hydrosilylation, while the hydrosilylation of styrenes using [(<sup>2,6-iPr2Ph</sup>BDI)Mn(μ-H)]<sub>2</sub> afforded Markovnikov's product. Importantly, this catalyst has also been employed for the cross-linking of industrially-relevant silicones derived from vinyl-terminated poly(dimethylsiloxane) and 1,2,4-trivinylcyclohexane with catalyst loadings as low as 0.05 mol%. To gain a mechanistic understanding of [(<sup>2,6-iPr2Ph</sup>BDI)Mn(μ-H)]<sub>2</sub>-catalyzed olefin hydrosilylation, 4-<i>tert</i>-butylstyrene was added to [(<sup>2,6-iPr2Ph</sup>BDI)Mn(μ-H)]<sub>2</sub> and conversion to the monomeric Mn alkyl complex, (<sup>2,6-iPr2Ph</sup>BDI)Mn(CH(CH<sub>3</sub>)(4- <sup><i>t</i></sup> BuPh)), was observed. Isolation of this secondary alkyl intermediate confirms that olefin insertion into the Mn-H bond dictates the observed regioselectivities. The importance of our mechanistic findings as they relate to recent advances in Mn hydrosilylation catalysis is described herein.
Relationships Between Chemical Structure and Properties of Fibers from Certain Partially Aromatic Polyamides (1981)

A new group of nylon yarns was prepared from copolymers of terephthalic and isophthalic acids with hexamethylene diamine, containing up to 80/20 molar ratios of the two acids, respectively. The corresponding polymers were characterized as to melting point, and spinning was explored. Compositions containing 60/40 and 65/35 molar ratios were evaluated more extensively, with the 65/35 ratio being used for detailed studies. Physical property tests, a Hat-spotting evaluation in tires, and wrinkle testing of three fabric types showed yarns of this composition to have dimensional stability approaching but not fully equalling that of poly(ethylene terephthalate), while having dyeing characteristics similar to those of nylon 66.
Soft Robotics: Review of Fluid‐Driven Intrinsically Soft Devices; Manufacturing, Sensing, Control, and Applications in Human‐Robot Interaction (2017)

The emerging field of soft robotics makes use of many classes of materials including metals, low glass transition temperature (Tg) plastics, and high Tg elastomers. Dependent on the specific design, all of these materials may result in extrinsically soft robots. Organic elastomers, however, have elastic moduli ranging from tens of megapascals down to kilopascals; robots composed of such materials are intrinsically soft − they are always compliant independent of their shape. This class of soft machines has been used to reduce control complexity and manufacturing cost of robots, while enabling sophisticated and novel functionalities often in direct contact with humans. This review focuses on a particular type of intrinsically soft, elastomeric robot − those powered via fluidic pressurization.
Seismoelectric Imaging Using Virtual Electrode Scanning (2014)

Summary Seismoelectric scans can be used for direct mapping of the electrical and hydraulic properties of oil and gas reservoirs or acquifers. The scans involve virtual seismic electrodes which are produced by focusing acoustic energy at known positions in the subsurface and at known times. If the acoustic focus point coincides with a discontinuity in electrical and hydrological medium properties, then it generates an electric current density which leads to a difference of potential that can be observed with remote electrodes. Although seismoelectric phenomena are not new, subsurface monitoring using virtual seismic electrodes provide a huge improvement over existing methodology for two main reasons: the source of the seismoelectric conversion is localized in space, and the energy at the conversion point is maximum. The seismoelectric source behaves like a controlled electrode whose properties depend on the acoustic energy pumped into the ground and on the local medium properties. By changing the position of the focus point through appropiate time delays of the acoustic sources, we can scan the medium properties and produce a map of its properties. This map can either be used directly, or it can aid electrical tomography by increasing its resolution and robustness.
The effect of a component of tea (Camellia sinensis) on methicillin resistance, PBP2' synthesis, and beta-lactamase production in Staphylococcus aureus (1998)

Extracts of tea (Camellia sinensis) can reverse methicillin resistance in methicillin-resistant Staphylococcus aureus (MRSA) and also, to some extent, penicillin resistance in beta-lactamase-producing S. aureus. These phenomena are explained by prevention of PBP2' synthesis and inhibition of secretion of beta-lactamase, respectively. Synergy between beta-lactams and tea extracts were demonstrated by disc diffusion, chequerboard titration and growth curves. Partition chromatography of an extract of green tea on Sephadex LH-20 yielded several fractions, one of which contained a virtually pure compound that showed the above-mentioned activities, at concentrations above about 2 mg/L. The observed activities are novel and distinct from the previously reported direct antibacterial activity of tea extracts. Prevention of PBP2' synthesis offers an interesting possible new approach for the treatment of infections caused by MRSA.
Enabling Cognitive Intelligence Queries in Relational Databases using Low-dimensional Word Embeddings (2016)

We apply distributed language embedding methods from Natural Language Processing to assign a vector to each database entity associated token (for example, a token may be a word occurring in a table row, or the name of a column). These vectors, of typical dimension 200, capture the meaning of tokens based on the contexts in which the tokens appear together. To form vectors, we apply a learning method to a token sequence derived from the database. We describe various techniques for extracting token sequences from a database. The techniques differ in complexity, in the token sequences they output and in the database information used (e.g., foreign keys). The vectors can be used to algebraically quantify semantic relationships between the tokens such as similarities and analogies. Vectors enable a dual view of the data: relational and (meaningful rather than purely syntactical) text. We introduce and explore a new class of queries called cognitive intelligence (CI) queries that extract information from the database based, in part, on the relationships encoded by vectors. We have implemented a prototype system on top of Spark to exhibit the power of CI queries. Here, CI queries are realized via SQL UDFs. This power goes far beyond text extensions to relational systems due to the information encoded in vectors. We also consider various extensions to the basic scheme, including using a collection of views derived from the database to focus on a domain of interest, utilizing vectors and/or text from external sources, maintaining vectors as the database evolves and exploring a database without utilizing its schema. For the latter, we consider minimal extensions to SQL to vastly improve query expressiveness.
Laser-based absorption spectroscopy as a technique for rapid in-line analysis of respired gas concentrations of O<sub>2</sub> and CO<sub>2</sub> (2011)

The use of sidestream analyzers for respired gas analysis is almost universal. However, they are not ideal for measurements of respiratory gas exchange because the analyses are both temporally dissociated from measurements of respiratory flow and also not generally conducted under the same physical conditions. This study explores the possibility of constructing an all optical, fast response, in-line breath analyzer for oxygen and carbon dioxide. Using direct absorption spectroscopy with a diode laser operating at a wavelength near 2 μm, measurements of expired carbon dioxide concentrations were obtained with an absolute limit of detection of 0.04% at a time resolution of 10 ms. Simultaneously, cavity enhanced absorption spectroscopy at a wavelength near 760 nm was employed to obtain measurements of expired oxygen concentrations with an absolute limit of detection of 0.26% at a time resolution of 10 ms. We conclude that laser-based absorption spectroscopy is a promising technology for in-line analysis of respired carbon dioxide and oxygen concentrations.
FLightNNs: Lightweight Quantized Deep Neural Networks for Fast and Accurate Inference (2019)

To improve the throughput and energy efficiency of Deep Neural Networks (DNNs) on customized hardware, lightweight neural networks constrain the weights of DNNs to be a limited combination (denoted as $k\in\{1,2\}$) of powers of 2. In such networks, the multiply-accumulate operation can be replaced with a single shift operation, or two shifts and an add operation. To provide even more design flexibility, the $k$ for each convolutional filter can be optimally chosen instead of being fixed for every filter. In this paper, we formulate the selection of $k$ to be differentiable, and describe model training for determining $k$-based weights on a per-filter basis. Over 46 FPGA-design experiments involving eight configurations and four data sets reveal that lightweight neural networks with a flexible $k$ value (dubbed FLightNNs) fully utilize the hardware resources on Field Programmable Gate Arrays (FPGAs), our experimental results show that FLightNNs can achieve 2$\times$ speedup when compared to lightweight NNs with $k=2$, with only 0.1\% accuracy degradation. Compared to a 4-bit fixed-point quantization, FLightNNs achieve higher accuracy and up to 2$\times$ inference speedup, due to their lightweight shift operations. In addition, our experiments also demonstrate that FLightNNs can achieve higher computational energy efficiency for ASIC implementation.
New Method for Jet Noise Reduction in Turbofan Engines (2004)

A new method for reducing large-scale mixing noise from dual-stream jets is presented. The principle is reduction of the convective Mach number of turbulent eddies that produce intense downward sound radiation. In a jet representing the coaxial exhaust of a turbofan engine, this is achieved by tilting downward, by a few degrees, the bypass (secondary) plume relative to the core (primary) plume. The misalignment of the two flows creates a thick low-speed secondary core on the underside of the high-speed primary flow. The secondary core reduces the convective Mach number of primary eddies, thus hindering their ability to generate sound that travels to the downward acoustic far field. Tilting of the bypass stream is possible by means of fixed or variable vanes installed near the exit of the bypass duct. Subscale aeroacoustic experiments simulated the exhaust flow of a turbofan engine with bypass ratio 6.0. Deflection of the bypass stream resulted in suppression of the peak overall sound pressure level by 4.5 dB and the effective perceived noise level by 2.8 dB. For the nozzle configuration used, the thrust loss is estimated at around 0.5% with the vanes activated and 0.15% with the vanes deactivated.
Molecular Signatures of Hemagglutinin Stem-Directed Heterosubtypic Human Neutralizing Antibodies against Influenza A Viruses (2014)

Recent studies have shown high usage of the IGHV1-69 germline immunoglobulin gene for influenza hemagglutinin stem-directed broadly-neutralizing antibodies (HV1-69-sBnAbs). Here we show that a major structural solution for these HV1-69-sBnAbs is achieved through a critical triad comprising two CDR-H2 loop anchor residues (a hydrophobic residue at position 53 (Ile or Met) and Phe54), and CDR-H3-Tyr at positions 98±1; together with distinctive V-segment CDR amino acid substitutions that occur in positions sparse in AID/polymerase-η recognition motifs. A semi-synthetic IGHV1-69 phage-display library screen designed to investigate AID/polη restrictions resulted in the isolation of HV1-69-sBnAbs that featured a distinctive Ile52Ser mutation in the CDR-H2 loop, a universal CDR-H3 Tyr at position 98 or 99, and required as little as two additional substitutions for heterosubtypic neutralizing activity. The functional importance of the Ile52Ser mutation was confirmed by mutagenesis and by BCR studies. Structural modeling suggests that substitution of a small amino acid at position 52 (or 52a) facilitates the insertion of CDR-H2 Phe54 and CDR-H3-Tyr into adjacent pockets on the stem. These results support the concept that activation and expansion of a defined subset of IGHV1-69-encoded B cells to produce potent HV1-69-sBnAbs does not necessarily require a heavily diversified V-segment acquired through recycling/reentry into the germinal center; rather, the incorporation of distinctive amino acid substitutions by Phase 2 long-patch error-prone repair of AID-induced mutations or by random non-AID SHM events may be sufficient. We propose that these routes of B cell maturation should be further investigated and exploited as a pathway for HV1-69-sBnAb elicitation by vaccination.
Sulfenamides as Standalone Flame Retardants for Polystyrene (2021)

Efficient standalone sulfenamide based flame retardants consisting of N-benzothiazol-2-ylsulfanyl-N-tert-butyl-benzothiazole-2-sulfenamide (SF-201) or N-cyclohexylthiophthal-imide (SF-205) have been developed for bulk and expanded polystyrene (EPS). In the first set of experiments the sulfenamides were mixed with general purpose polystyrene (GPPS) in a Haake Rheocord melt blender, and in the second set of experiments suspension polymerizations of styrene were carried out in the presence of either of the sulfenamides. Under these experimental conditions SF-201 was deemed to be a more effective flame retardant than SF-205. The third set of experiments involved all the relevant steps for industrial production of EPS: Preparation of polystyrene beads containing pentane as blowing agent and SF-201 as the sole flame retardant, subsequent pre-expansion of the beads at 120 °C with steam and in the last step molding with steam to produce large EPS blocks. The prepared EPS blocks were cut into desired dimensions for EN ISO 11925-2 fire tests. The obtained beads containing SF-201 had a spherical shape and their particle size distribution as well as molecular weights were rather similar to the reference polystyrene beads. Thus, it seems that SF-201 did not have a notably negative influence in the process of breakage and coalescence of monomer/polymer droplets. In addition, the molecular weight distribution remained narrow and a slight decrease in polystyrene molecular weights were observed in comparison to neat polystyrene prepared under similar conditions. The flame retardant efficacy of SF-201 as a standalone flame retardant in EPS was high, as at 2.5 % loading of SF-201 in EN ISO 11925-2 ignitability test the EN 13501-1 E class with no flammable droplets was obtained. The thermogravimetric analysis (TGA) carried out under inert atmosphere revealed enhanced and earlier onset of polystyrene degradation in the presence of sulfenamides. The enhanced polystyrene degradation led to a lowering of melt viscosity that facilitated an effective mass transfer of fuel and heat away from the fire zone. The pyrolysis gas chromatography-mass spectrometry (PyGCMS) measurements of blends showed a lower level and number of polystyrene related degradation products (styrene, multiple dimer and trimer species) and evidence of parent SF-201 flame retardant molecule was no longer visible. Whereas new volatile amine species such as tert-butylamine and N-tert-butyl-2-benzothiazolesulfenamide were detected which relate to flame retardant activity in the condensed phase and potentially radical scavenging of key combustion radicals (H., .OH) in gas-phase.
17beta Hydroxysteroid Dehydrogenase Type 3 Inhibitors (2004)

The invention relates to a prepn. of piperazine derivs. of
formula I [wherein: X is CH or N; Z is O or NH, N-alkyl, or
N-aryl, etc.; R1 and R2 are independently selected from
(un)substituted (hetero)aryl, (hetero)arylalkyl; R3 is H, OH,
alkoxy, aryloxy, etc.; R4 is H, (cyclo)alkyl, (hetero)aryl,
etc.; R5 is C(O)R6 or SO2R6; R6 is alkyl, (hetero)aryl,
(hetero)arylalkyl, (un)substituted amine], useful as inhibitors
of type 3 17.beta.-hydroxysteroid dehydrogenase. The invention
compds. are claimed to be useful for the treatment, prevention,
inhibition, or amelioration of diseases such as prostate
cancer, acne, and androgenic alopecia, etc. The invention
compds. exhibited a range of 17.beta.-hydroxysteroid
dehydrogenase type 3 binding activity from about 0.005 nM to 10
nM. For instance, piperazine deriv. II was prepd. via amination
of phenyl(trifluoromethylphenyl)methanol by
(S)-2-tert-butylpiperazine (example 7) and subsequent reaction
of the obtained piperazine deriv. III and piperidine deriv. IV
(example 15).