gebhart/patrepeval huggingface dataset:
Zwitterionic Guanidinium Compounds Serve as Electroneutral Anion Hosts (1999)

The complexation of anions in solvating phases by artificial receptors requires the total or at least partial replacement of their solvation shells by the mutual supramolecular interactions. Supplementing well-known approaches that rely on net electrostatic charges or extensive hydrogen bonding for guest complexation the present work focuses on the alternative concept of charge separation in the host to create a cationic site suitable for strong interaction with negatively charged guests. An anionic moiety balancing the overall host charge to zero is incorporated in a way to prevent collapsing into an ion pair. Using bicyclic guanidinium anchor groups for direct guest binding and a closo-borane cluster as an anionic countercharge the ditopic zwitterionic host 17 was designed and prepared in a convergent synthetic scheme. Despite its electroneutrality 17 binds inorganic and organic oxoanions such as sulfate, oxalate, squarate and p-nitrophenyl phosphate with affinity constants reaching 3.1 × 104 M-1 in DMSO (squarate2-) or 1.1 × 105 M-1 in acetonitrile (p-nitrophenyl phosphate2-). Clean 1:1 host−guest stoichiometry is found in dilute solutions, whereas at higher concentrations different complex compositions and host dimerization are observed. Titration calorimetry reveals the major role of entropy in host−guest association. In essence, anion binding by 17 and its congeners in strongly solvating solvents such as DMSO is favored by massive positive association entropies that in the case of sulfate complexation to 17 override an unfavorable positive binding enthalpy constituting an exclusively entropy-driven process.
Intracellular pharmacokinetics of antiretroviral agents. (2004)

Apart from fusion inhibitors, 'conventional' antiretrovirals such as nucleoside reverse transcriptase inhibitors (NRTIs), non-nucleoside reverse transcriptase inhibitors (NNRTIs) and protease inhibitors (PIs) act on intracellular targets. Intracellular concentrations of these agents may be an important determinant of antiviral activity, and the pharmacokinetics of intracellular drug accumulation (including binding to cytosolic proteins, intracellular-free fraction, influx and efflux kinetics and intracellular drug metabolism) are likely to impact upon efficacy and toxicity. To date, intracellular drug accumulation has been poorly studied in vivo, due to methodological difficulties and the relatively large volumes of blood required. NRTIs require intracellular conversion to their active phosphorylated metabolites: interactions between these agents, or with other drugs may impact upon efficacy. PIs are metabolised by cytochrome P450 enzymes in gut and liver; some intracellular metabolism by P450 isoforms is also possible. PIs are also substrates for drug efflux transporters such as P-gp and MRP1. We have previously observed a hierarchy of intracellular accumulation of PIs, most probably related to physiochemical characteristics of these drugs such as lipophilicity and plasma protein binding. Comparatively, little is known about the intracellular pharmacokinetics of NNRTIs. These drugs probably do not accumulate inside cells to any significant degree. The study of intracellular pharmacokinetics of HIV drugs is central to investigating putative sanctuary sites where HIV may replicate with little selective pressure. However, stringent methodological procedures need to be applied, and techniques for measuring intracellular drug are in their infancy. Moreover, failure to differentiate between truly intracellular drug and drug bound to cell membranes render results difficult to interpret.
How about taking a low‐cost, small, and wireless <scp>EEG</scp> for a walk? (2012)

To build a low-cost, small, and wireless electroencephalogram (EEG) system suitable for field recordings, we merged consumer EEG hardware with an EEG electrode cap. Auditory oddball data were obtained while participants walked outdoors on university campus. Single-trial P300 classification with linear discriminant analysis revealed high classification accuracies for both indoor (77%) and outdoor (69%) recording conditions. We conclude that good quality, single-trial EEG data suitable for mobile brain-computer interfaces can be obtained with affordable hardware.
“Click” Reactions: Novel Chemistries for Forming Well-defined Polyester Nanoparticles (2010)

We present the synthesis of discrete functionalized polyester nanoparticles in selected nanoscale size dimensions via a controlled intermolecular chain cross-linking process facilitated via “click”-chemistry approaches such as the Cu(I)-catalyzed 1,3-dipolar cycloaddition of azides and thiol−ene reactions. Both “click” reactions led to the formation of well-defined nanoparticles with narrow size distribution and selected nanoscopic size dimensions. The controlled coupling involves the cross-linking of an alkyne functionalized polyester with a bisazide, 1,8-diazide-3,6-dioxaoctane, and an allyl functionalized polyester with 3,6-dioxa-1,8-octanedithiol. The linear functional polyester precursors were synthesized via ring-opening copolymerization of δ-valerolactone and α-propargyl-δ-valerolactone as well as with α-ally-δ-valerolactone, respectively. We found that the nanoparticle formation and the control over the nanoscopic dimension are primarily influenced by the degree of the alkyne or allyl entity implemented in the precursor polymer and the amount of bisazide and dithiol cross-linking reagents. These results underline once more the versatility of the intermolecular chain cross-linking reaction which is not limited to epoxide chemistries but can be extended to “click” reactions to form controlled nanoparticles with comparable efficiencies. This work describes the utilization of alkyne−azide and thiol−ene “click” chemistries to facilitate the controlled assembly and cross-linking of supramolecular 3-D structures in selected nanoscopic ranges.
A Brushless Cylindrical-Rotor 4-Pole Three-Phase Synchronous Generator Without Exciter (1999)

A suitable structure for small-capacity generator must be simple, robust, highly reliable and maintenance-free.The authors present an original brushless cylindrical-rotor type 4-pole three-phase synchronous generator without excitor. The stator is provided with a 4-pole three-phase main winding and a 2-pole single-phase exciting winding, and rotor field coils are connected with diodes, respectively, so as to make the same pole magnetic field as the stator main winding. The each field coil is consisted of a half-wave rectification circuit. The rotor field excitation is controlled proportionally by the stator dc exciting current.By the scheme that the stator main winding is connected to leading capacitors at the terminals for shunt excitation, and connected to the full-wave rectifier at the neutral point and the rectified current supplied to the stator exciting winding for series excitation, a brushless self-excited three-phase synchronous generator has been achieved.In this paper the circuit configuration of the generator and the experimental results using a 2kVA prototype machine are shown.
Identification of the Epstein-Barr virus terminal protein gene products in latently infected lymphocytes (1990)

The terminal protein (TP) gene produces two overlapping mRNAs in latently infected lymphocytes that are predicted to encode the similar polypeptides TP1 (497 amino acids) and TP2 (378 amino acids), with TP1 exon 1 providing 119 extra unique residues at the N terminus. Rabbit antisera were raised to procaryotic fusion proteins and used to detect expression of a predicted 53-kilodalton (kDa) TP product in transfected 293 cells and latently infected lymphocytes. Fractionation of transfected 293 cells showed this protein to be localized to an integral membrane preparation. The same fraction of latently infected lymphocytes contained proteins of 53 and 27 to 39 kDa as determined by Western immunoblotting with the TP-specific rabbit antisera. Immunoprecipitation of TP products from 35S-labeled human lymphoblastoid cells (CR/B95-8) was used in pulse-chase experiments and showed that TP1 was a labile protein with a half-life of approximately 2 to 4 h. The anti-fusion protein serum detected a 53-kDa TP1 and degradation products in the range of 25 to 35 kDa. A panel of Burkitt's lymphoma cell lines and cell lines established with virus recovered from the BL cells were analyzed by Western immunoblotting and found to contain the 53-kDa TP1 product, its degradation products, or both. Only two EBV-positive BL cell lines (BL72 and Wewak II) were negative in this assay. The results suggest that a labile TP1 protein may be expressed by most, if not all, EBV-infected cell lines.
Phase Types, Structures and Chemistry of Liquid Crystals (1994)

Liquid crystals are well known today to a broad community. Liquid crystal displays in electronic watches and calculators are wide spread. However, much less is commonly known about the function of these displays or the scientific background of the liquid crystalline state which may be considered as a special physical condition.
Clinical efficacy of tamoxifen. (1997)

In 1977, tamoxifen, a nonsteroidal antiestrogen, was approved in the United States for the management of advanced breast cancer in postmenopausal women. Since that time, tamoxifen's therapeutic role has grown to include management of advanced breast cancer in premenopausal women, systemic adjuvant therapy for early breast cancer in premenopausal and postmenopausal women, and treatment of breast cancer in men; the drug is now being studied in chemoprevention trials for women at high risk for breast cancer. Tamoxifen therapy prolongs disease-free survival and reduces mortality in premenopausal, postmenopausal, node-positive, and node-negative patients. Positive objective responses are more frequent in patients with estrogen receptor-positive tumors. The role of tamoxifen in combination with chemotherapy needs to be further clarified with respect to the optimal regimen, sequential vs concomitant therapy, and appropriate patient selection. While the optimum duration of tamoxifen therapy has not yet been established, tamoxifen remains a major therapeutic agent in the medical management of breast cancer.
ANN with two-dendrite neurons and its weight initialization (2003)

The authors propose the multidendrite multiactivation product unit and the vectorial connection model for artificial neural networks. A generalized backpropagation learning rule is also developed for multilayer feedforward networks with a new neuron model and connections. Each hidden neuron is a multiactivation product unit which requires vectorial axon connections and a productive activation function. An optimal weight initialization algorithm is developed for a three-layer network with hidden units of 2D vectorial connections. The weights between the input layer and the hidden layer are derived from the feature selection methods used in pattern recognition. The activation function is the product of a 2D Hermite spline base function. The weights between the hidden layer and the third layer are scaled coefficients of the 2D Hermite spline interpolations. The performances of networks initialized by the new algorithm are compared with those obtained by selecting random initial weights.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Congenital adrenal hyperplasia presenting as pelvic inflammatory disease in a phenotypic male (2020)

The adrenal gland myelolipoma was thought to have developed as a result of a longstanding exposure to adrenocorticotropic hormone. There are controversies regarding the management of female genitalia in CAH patients who identify themselves as men. In this case, the physician and patient decided to remove the female genitalia because the surgery for the mesenteric mass was inevitable and there was a possibility of recurrent PID. To our knowledge, this is the first article to report primary mesenteric tumor in a CAH patient to date. In conclusion, patients who were born before neonatal screening for CAH became the mainstay, who are suspected to have CAH from their history, and present with abdominal pain must be diagnosed by performing an imaging study, testing levels of serum 17-OH-PG, and screening for female genitalia and adrenal gland myelolipoma.
Suzuki–Miyaura reaction by heterogeneously supported Pd in water: recent studies (2015)

This review summarizes the progress made essentially in the last fifteen years in the Suzuki–Miyaura coupling reaction by heterogeneous palladium catalysis in water as the sole solvent.
Resistance to Irreversible EGF Receptor Tyrosine Kinase Inhibitors through a Multistep Mechanism Involving the IGF1R Pathway (2012)

The clinical efficacy of EGF receptor (EGFR) kinase inhibitors gefitinib and erlotinib is limited by the development of drug resistance. The most common mechanism of drug resistance is the secondary EGFR T790M mutation. Strategies to overcome EGFR T790M-mediated drug resistance include the use of mutant selective EGFR inhibitors, including WZ4002, or the use of high concentrations of irreversible quinazoline EGFR inhibitors such as PF299804. In the current study, we develop drug-resistant versions of the EGFR-mutant PC9 cell line, which reproducibly develops EGFR T790M as a mechanism of drug resistance to gefitinib. Neither PF299804-resistant nor WZ4002-resistant clones of PC9 harbor EGFR T790M. Instead, they have shown activated insulin-like growth factor receptor (IGF1R) signaling as a result of loss of expression of IGFBP3 with the IGF1R inhibitor, BMS 536924, restoring EGFR inhibitor sensitivity. Intriguingly, prolonged exposure to either PF299804 or WZ4002 results in the emergence of a more drug-resistant subclone that exhibits ERK activation. A MEK inhibitor, CI-1040, partially restores sensitivity to the EGFR/IGF1R inhibitor combination. Moreover, an IGF1R or MEK inhibitor used in combination with either PF299804 or WZ4002 completely prevents the emergence of drug-resistant clones in this model system. Our studies suggest that more effective means of inhibiting EGFR T790M will prevent the emergence of this common drug resistance mechanism in EGFR-mutant non-small cell lung cancer. However, multiple drug resistance mechanisms can still emerge. Preventing the emergence of drug resistance, by targeting pathways that become activated in resistant cancers, may be a more effective clinical strategy.
Structural Basis for Non-cognate Amino Acid Discrimination by the Valyl-tRNA Synthetase Editing Domain (2005)

The editing domain of valyl-tRNA synthetase (ValRS) is known to deacylate, or edit, misformed Thr-tRNA(Val) (post-transfer editing). Here, we determined the 1.7-Angstroms resolution crystal structure of the Thermus thermophilus ValRS editing domain. A comparison of the structure with the previously reported tRNA complex structure revealed conformational changes of the editing domain upon accommodation of the terminal A76; the "GTG loop" moves to expand the pocket, and the side chain of Phe-264 on the GTG loop rotates to interact with the A76 adenine ring. If these conformational changes did not occur, then C75 and A76 of the tRNA would clash with Phe-264. To elucidate the mechanism of the threonine side-chain recognition, we determined the crystal structure of the editing domain bound with [N-(L-threonyl)-sulfamoyl]adenosine at 1.7-Angstroms resolution. The gamma-OH of the threonyl moiety is recognized by the Lys-270, Thr-272, and Asp-279 side chains, which may reject the cognate valyl moiety. Accordingly, ValRS mutants with an Ala substitution for Lys-270 or Asp-279 synthesized significant amounts of Thr-tRNA(Val). The misproduced Thr-tRNA(Val) was hydrolyzed efficiently by the wild-type ValRS, but this post-transfer editing activity was drastically impaired by the Ala substitutions for Lys-270 and Asp-279 and was also decreased by those for Arg-216, Phe-264, and Thr-272. These results indicate that the threonyl moiety and A76 of Thr-tRNA(Val) are recognized by the Lys-270, Thr-272, and Asp-279 side chains and by the Phe-264 side chain, respectively, of the ValRS editing domain.
Artificial Site-Specific DNA-Nicking System Based on Common Restriction Enzymes Assisted by PNA Openers (2003)

We report on the peptide nucleic acid (PNA)-directed design of a DNA-nicking system that enables selective and quantitative cleavage of one strand of duplex DNA at a designated site, thus mimicking natural nickases and significantly extending their potential. This system exploits the ability of pyrimidine PNAs to serve as openers for specific DNA sites by invading the DNA duplex and exposing one DNA strand for oligonucleotide hybridization. The resultant secondary duplex can act as a substrate for a restriction enzyme, which ultimately creates a nick in the parent DNA. We demonstrate that several restriction enzymes of different types could be successfully used in the PNA-assisted system we developed. Importantly, the enzyme cleavage efficiency is basically not impaired on such artificially generated substrates, compared with the efficiency on regular DNA duplexes. Our design originates a vast class of semisynthetic rare-cleaving DNA nickases, which are essentially absent at present. In addition, we show that the site-specific PNA-assisted nicking of duplex DNA can be engaged in a rolling-circle DNA amplification (RCA) reaction. This new RCA format demonstrates the practical potential of the novel biomolecular tool we propose for DNA technology and DNA diagnostics.
A Retrospective of VAWT Technology (2012)

The study of Vertical-Axis Wind Turbine (VAWT) technology at Sandia National Laboratories started in the 1970's and concluded in the 1990's. These studies concentrated on the Darrieus configurations because of their high inherent efficiency, but other configurations (e.g., the Savonius turbine) were also examined. The Sandia VAWT program culminated with the design of the 34-m 'Test Bed' Darrieus VAWT. This turbine was designed and built to test various VAWT design concepts and to provide the necessary databases to validate analytical design codes and algorithms. Using the Test Bed as their starting point, FloWind Corp. developed a commercial VAWT product line with composite blades and an extended height-to-diameter ratio. The purpose of this paper is to discuss the design process and results of the Sandia 34-m VAWT Test Bed program and the FloWind prototype development program with an eye toward future offshore designs. This paper is our retrospective of the design, analysis, testing and commercial process. Special emphasis is given to those lessons learned that will aid in the development of an off-shore VAWT.
Increased Survival of Dopaminergic Neurons in Striatal Grafts of Fetal Ventral Mesencephalic Cells Exposed to Neurotrophin-3 or Glial Cell Line-Derived Neurotrophic Factor (2000)

The transplantation of fetal mesencephalic cell suspensions into the brain striatal system is an emerging treatment for Parkinson's disease. However, one objection to this procedure is the relatively poor survival of implanted cells. The ability of neurotrophic factors to regulate developmental neuron survival and differentiation suggests they could be used to enhance the success of cerebral grafts. We studied the effects of neurotrophin-3 (NT-3) or glial cell line-derived neurotrophic factor (GDNF) on the survival of dopaminergic neurons from rat fetal ventral mesencephalic cells (FMCs) implanted into the rat striatum. Two conditions were tested: (a) incubation of FMCs in media containing NT-3 and GDNF, prior to grafting, and (b) co-grafting of FMCs with cells engineered to overexpress high levels of NT-3 or GDNF. One week after grafting into the rat striatum, the survival of TH+ neurons was significantly increased by pretreatment of ventral mesencephalic cells with NT-3 or GDNF. Similarly, co-graft of ventral mesencephalic cells with NT-3- or GDNF-overexpressing cells, but not the mock-transfected control cell line, increased the survival of graft-derived dopaminergic neurons. Interestingly, we also found that co-grafting of GDNF-overexpressing cells was less effective than NT-3 at improving the survival of fetal dopaminergic neurons in the grafts, and that only GDNF induced intense TH immunostaining in fibers and nerve endings of the host tissue surrounding the implant. Thus, our results suggest that NT-3, by strongly enhancing survival, and GDNF, by promoting both survival and sprouting, may improve the efficiency of fetal transplants in the treatment of Parkinson's disease.
A novel reflectance-based model for evaluating chlorophyll concentrations of fresh and water-stressed leaves (2015)

Abstract. Water deficits can cause chlorophyll degradation which decreases the total concentration of chlorophyll a and b (Chls). Few studies have investigated the effectiveness of spectral indices under water-stressed conditions. Chlorophyll meters have been extensively used for a wide variety of leaf chlorophyll and nitrogen estimations. Since a chlorophyll meter works by sensing leaves absorptance and transmittance, the reading of chlorophyll concentration will be affected by changes in transmittance as if there were a water deficit in the leaves. The overall objective of this paper was to develop a novel and reliable reflectance-based model for estimating Chls of fresh and water-stressed leaves using the reflectance at the absorption bands of chlorophyll a and b and the red edge spectrum. Three independent experiments were designed to collect data from three leaf sample sets for the construction and validation of Chls estimation models. First, a reflectance experiment was conducted to collect foliar Chls and reflectance of leaves with varying water stress using the ASD FieldSpec spectroradiometer. Second, a chlorophyll meter (SPAD-502) experiment was carried out to collect foliar Chls and meter readings. These two data sets were separately used for developing reflectance-based or absorptance-based Chls estimation models using linear and nonlinear regression analysis. Suitable models were suggested mainly based on the coefficient of determination (R2). Finally, an experiment was conducted to collect the third data set for the validation of Chls models using the root mean squared error (RMSE) and the mean absolute error (MAE). In all of the experiments, the observations (real values) of the foliar Chls were extracted from acetone solution and determined by using a Hitachi U-2000 spectrophotometer. The spectral indices in the form of reflectance ratio/difference/slope derived from the Chl b absorption bands (ρ645 and ρ455) provided Chls estimates with RMSE around 0.40–0.55 mg g−1 for both fresh and water-stressed samples. We improved Chls prediction accuracy by incorporating the reflectance at red edge position (ρREP) in regression models. An effective chlorophyll indicator with the form of (ρ645–ρ455)/ρREP proved to be the most accurate and stable predictor for foliar Chls concentration. This model was derived with an R2 of 0.90 (P < 0.01) from the training samples and evaluated with RMSE 0.35 and 0.38 mg g−1 for the validation samples of fresh and water-stressed leaves, respectively. The average prediction error was within 14% of the mean absolute error.