gebhart/patrepeval huggingface dataset:
Potency And Specificity Of CGS-16949A As An Aromatase Inhibitor (1990)

Inhibitors of aromatase are useful for treatment of estrogen-dependent breast cancer and as probes for study of normal physiology. Inhibitors of this enzyme with more favorable properties are necessary since the most extensively utilized inhibitor, aminoglutethimide, lacks specificity and causes frequent side effects. The present study compared the potency and specificity of a new aromatase inhibitor, CGS-16949A, with that of aminoglutethimide in a variety of in vitro enzyme preparations. CGS-16949A blocked aromatase by 50% in human breast cancer homogenates, live breast cancer cells, human placental microsomes and porcine ovarian microsomes at concentrations of 0.008 to 0.02 μM. In contrast, concentrations of 10–25 μM of aminoglutethimide were required to inhibit aromatase similarly in these tissues. For human placental microsomes, the Ki for CGS 16949A was 0.17 nM and for aminoglutethimide, 0.54μM. Preincubation studies indicated that CGS-16949A acts by a competitive inhibitory mechanism and not by “suicide inhibitory” properties. With respect to specificity, CGS-16949A had no effect on cholesterol side-chain cleavage activity in rat testicular mitochondria. A 54% reduction in enzyme activity was observed in adrenal mitochondria but only at concentrations five orders of magnitude higher (i.e. 100 μM) than required to inhibit aromatase. In contrast, 10 μM concentrations of aminoglutethimide blocked cholesterol side-chain cleavage activity in rat testicular and adrenal mitochondria by 67 and 91%, respectively. These data suggest that CGS-16949A has favorable properties as a specific and potent aromatase inhibitor.
2D Analysis of Acoustic Transfer Through the Chest Cavity of Sounds Associated With Coronary Artery Disease (2009)

Cardiovascular disease represents the leading cause of death in the United States, accounting for about 35% of all deaths, the majority of which are due to Coronary Artery Disease (CAD), which alone accounts for 20% of all deaths [1]. This is primarily due to the difficulty in early diagnosis of CAD; only about 20% of all cases are diagnosed prior to the patient’s first heart attack [2]. This is due to the limitations of current diagnostic techniques, which are either invasive or prohibitively expensive for use as a screening test for CAD. Phonoangiography is a technique that promises inexpensive and noninvasive diagnosis of CAD by detecting the flow noise created by turbulent flow within a stenosed coronary artery, also known as a bruit in the medical community. This technique is not currently used due to the difficulties of detecting the faint sound of a bruit in the noisy environment of the chest. To the authors’ knowledge, analysis of the acoustic transfer of cardiovascular sounds through the chest has not studied previously. We hypothesize that the acoustic transfer function at different locations on the chest surface is significantly dependent on the source location, which would provide a signal processing technique for detecting the presence of CAD.
Development of an HIV-1 Reference Panel of Subtype B Envelope Clones Isolated From the Plasma of Recently Infected Individuals (2007)

We have developed an HIV-1 reference panel of 20 subtype B envelope clones isolated from the plasma of recently infected individuals. It is widely accepted that a prophylactic vaccine against HIV-1 requires the development of novel immunogens that are capable of eliciting broadly protective neutralizing antibody responses. Historically, patient serum has been screened for such antibodies by assaying against laboratory strains, but these viruses typically have increased neutralization sensitivity compared with primary isolates. To create a more standardized and relevant assay system for vaccine evaluation, we have developed a panel of primary envelopes derived from the plasma of individuals with documented acute/early subtype B HIV-1 infection occurring between 2000 and 2004. The HIV-1 envelopes from this panel vary in mode of transmission, coreceptor tropism, fusogenicity, and overall sensitivity to neutralization. These envelope sequences represent a broad spectrum of subtype B genetic diversity with an average pairwise genetic distance of 12% and a range from 10% to 19%. This well-characterized HIV-1 envelope panel should be a valuable resource for optimizing and standardizing vaccine assessment and improving vaccine design.
Functional noble metal nanostructures involving pyrene-conjugated-hyaluronan stabilised reduced graphene oxide (2013)

Pyrene-conjugated-hyaluronan (Py–HA) stabilises reduced graphene oxide (Py–HA–RGO) in water, with the composite material providing a substrate for building up nanostructures of Au, Ag, Pd and Pt, of varying sizes, shape, and surface properties. Formation of the metal is effective using in situ UV irradiation (Au and Ag) or hydrogen gas at ambient pressure (Pd and Pt). The Py–HA is multifunctional in stabilising Py–HA–RGO in water and controlling the nature of the resulting metal nanostructures. The hybrid Au nanomaterials have been tested as a sensor material for hydrogen peroxide, using electrocatalysis, and the Pd nanomaterials are readily incorporated into hydrogen gas sensors using a drop casting technique, with both systems having nanostructured-dependent detecting responses.
ChemInform Abstract: Chelation Controlled Regioselective Alkylation and 1,4‐Chirality Transfer in Optically Active 1‐Alkoxy‐1,4‐cyclohexadienes. (1988)

Abstract The chiral phenyl ethers (I) are reduced to form the 1,4‐cyclohexadienes (II).
Spatial-domain cavity ringdown: a potential toward broadband cavity ringdown spectroscopy (2002)

We propose and demonstrate the idea of spatial-domain cavity ringdown (CRD) technique. The feasibility of the new concept toward broadband CRD implementation is supported by a firm theoretical background and a preliminary experiment.
Design, Synthesis, and Characterization of Gated Ion Transporters (1994)

Artificial channels for the transport of alkali metal cations through bilayer membranes are readily prepared from a modular set of subunits. Structure-activity relationships and kinetic studies in vesicles define the structural requirements of active materials. Active transporters are symmetrical, and are apparently gated by random reorientation or reorganization events in the membrane. Control of ion transport in response to external stimuli such as light or transmembrane potential could in principle be achieved by the introduction of responsive functionality. Our approach to photo-gated channels, channels switched on or off by light, involves an intramolecular trans azo linked ammonium side arm to block the ion channel in the dark state. Photo-isomerisation to the cis form would alter the ammonium blocking position and open the channel for transport. Progress in the synthesis of a suitable example is outlined. Voltage-gated pores, switched by membrane potential, might be derived from the aggregate pores formed by bolaform (two-headed) amphiphiles. Orientation of the dipoles of zwitterionic structures would respond to the membrane potential. Preliminary studies of one of these primitive voltage gates show partial control of ion transport.
Photoneutron cross sections of $sup 10$B and $sup 11$B (1973)

The absolute total photoneutron cross sections of /sup 10/B and /sup 11/ B were deduced from bremsstrahlung yield curves for the reactions measured from threshold to 28 MeV. Neutron yields were measured using direct neutron counting, and were analyzed using the variable-bin Penfold- Leiss method. The integrated cross sections from thresholds to 27.6 MeV were found to be 0.36 plus or minus 0.04 for /sup 10/B and 0.37 plus or minus 0.04 for /sup 11/B, both given in units of 60 NZ/A. It is found that shell-model calculations which have been carried out for these nuclei are inadequate in their description of the detail seen experimentally, particularly in the case of /sup 10/B. A discussion of the possibility of isospin splitting in /sup 11/B is also given. (auth)
A DFT study of ruthenium pincer carboxylate complexes as potential catalysts for the direct carboxylation of arenes with CO2 – meridional versus facial coordination (2014)

A recent DFT study of the ruthenium pincer benzoate complex [Ru(PNP)(PhCOO)2] I (PNP = 2,6-bis(diphenylphosphanyl)lutidine) in its meridional form has revealed mer-I to be a promising catalyst lead structure for the direct insertion of CO2 into the C-H bonds of arenes, such as benzene. After the successful synthesis of I, its solid state structure interestingly and unexpectedly showed the pincer ligand to adopt the facial rather than the meridional coordination mode. Recalculation of the catalytic cycle with fac-I including all relevant local minima and transition states revealed (a) fac-I to be significantly more stable (6.1 kcal mol(-1)) than mer-I, (b) that the energetic span (ES; i.e. the effective activation barrier) for the cycle with fac-I amounts to 38.8 kcal mol(-1), while the cycle with mer-I has an ES of 25.5 kcal mol(-1) only. These results are a hint that fac-I is catalytically inactive. Experimental testing of fac-I showed indeed no product formation, which is in full accordance with the computations. To reduce the spatial flexibility of the pincer ligand, its CH2 groups were replaced by O atoms. The resulting complex [Ru(PONOP)(PhCOO)2] II (PONOP = 2,6-bis(diphenylphosphinito)pyridine) was used for the calculation of the catalytic cycle in benzene as the solvent. Gratifyingly, the starting complex mer-II is more stable than fac-II by 1.9 kcal mol(-1) in benzene as the solvent. Consequently, mer-II should be available experimentally. As with fac-I, also fac-II generates a catalytic cycle with a high ES (37.1 kcal mol(-1)), while mer-II generates a cycle with a significantly lower ES (27.2 kcal mol(-1)) indicating mer-II to be a potentially active catalyst. A possible explanation of the much lower ES in the case of the meridionally coordinated species is found in the stronger interaction of the substrate with the metal center in the arene-σ-bond complex. As a result the issue that is created by the mer/fac isomerism can be resolved by creating spatially less flexible structures.
Large Nontransplanted Hepatocellular Carcinoma in Woodchucks: Treatment With Adenovirus-Mediated Delivery of Interleukin 12/B7.1 Genes (2001)

Adenovirus vector-based immunotherapy appears to be an effective treatment of large nontransplanted (orthotopic) tumors that acquire malignant characteristics in a stepwise process, reflecting the real-world scenario of hepatocellular carcinoma in humans.
Adaptive-Length Coding of Image Data for Low-Cost Approximate Storage (2019)

In the past few years, ever-increasing amounts of image data have been generated by users globally, and these images are routinely stored in cold storage systems in compressed formats. This article investigates the use of approximate storage that leverages the use of cheaper, lower reliability memories that can have higher error rates. Since traditional JPEG-based schemes based on variable-length coding are extremely sensitive to error, the direct use of approximate storage results in severe quality degradation. We propose an error-resilient adaptive-length coding (ALC) scheme that divides all symbols into two classes, based on their frequency of occurrence, where each class has a fixed-length codeword. This provides a balance between the reliability of fixed-length coding schemes, which have a high storage overhead, and the storage-efficiency of Huffman coding schemes, which show high levels of error on low-reliability storage platforms. Further, we use data partitioning to determine which bits are stored in approximate or reliable storage to lower the overall cost of storage. We show that ALC can be used with general non-volatile storage, and can substantially reduce the total cost compared to traditional JPEG-based storage.
Conditioning effects on La1-xSrxMnO3-Yttria stabilized Zirconia electrodes for thin-film solid oxide fuel cells (2002)

Composite cathodes of 50/50 vol percent LSM-YSZ (La1-xSrxMnO3-yttria stabilized zirconia) were deposited onto dense YSZ electrolytes by a colloidal deposition technique. The cathode characteristics were then examined by scanning electron microscopy (SEM) and studied by an impedance spectroscopy (IS). Conditioning effects of the LSM-YSZ cathodes were seen, and remedies for these effects were proposed for improving the performance of a solid oxide fuel cell (SOFC). LSM surface contamination and modification, cathode bonding to the YSZ electrolyte, changing Pt electrode and bonding paste, and curvature of sintered YSZ electrolytes led to some changes in microstructure and variability in cell performances.
Primary step in the bacteriorhodopsin photocycle: photochemistry or excitation transfer? (1981)

The absorption polarization of the first intermediate (K610) formed at room temperature in the proton-pumping photochemical cycle of bacteriorhodopsin (bR) shows a strong correlation with the polarization direction of the photolyzed parent molecule. The results suggest that, unlike other photosynthetic systems, excitation transfer does not take place prior to the primary photochemical change in bR. These observations together with the previously observed circular dichroism and the polarization temperature dependence are discussed in terms of the exciton structure and the nature of the absorption bandwidths (i.e., homogeneous vs. inhomogeneous) of the bR monomers within the trimer structure.
Thiomethyltetrazines Are Reversible Covalent Cysteine Warheads Whose Dynamic Behavior can be “Switched Off” via Bioorthogonal Chemistry Inside Live Cells (2023)

Electrophilic small molecules that can reversibly modify proteins are of growing interest in drug discovery. However, the ability to study reversible covalent probes in live cells can be limited by their reversible reactivity after cell lysis and in proteomic workflows, leading to scrambling and signal loss. We describe how thiomethyltetrazines function as reversible covalent warheads for cysteine modification, and this dynamic labeling behavior can be "switched off" <i>via</i> bioorthogonal chemistry inside live cells. Simultaneously, the tetrazine serves as a bioorthogonal reporter enabling the introduction of tags for fluorescent imaging or affinity purification. Thiomethyltetrazines can label isolated proteins, proteins in cellular lysates, and proteins in live cells with second-order rate constants spanning 2 orders of magnitude (<i>k</i><sub>2</sub>, 1-100 M<sup>-1</sup> s<sup>-1</sup>). Reversible modification by thiomethyltetrazines can be switched off upon the addition of <i>trans-</i>cyclooctene in live cells, converting the dynamic thiomethyltetrazine tag into a Diels-Alder adduct which is stable to lysis and proteomic workflows. Time-course quenching experiments were used to demonstrate temporal control over electrophilic modification. Moreover, it is shown that "locking in" the tag through Diels-Alder chemistry enables the identification of protein targets that are otherwise lost during sample processing. Three probes were further evaluated to identify unique pathways in a live-cell proteomic study. We anticipate that discovery efforts will be enabled by the trifold function of thiomethyltetrazines as electrophilic warheads, bioorthogonal reporters, and switches for "locking in" stability.
P‐222: Late‐News‐Poster: Mechanically‐Static Laser Speckle Reduction Solution (2020)

A mechanically‐static active diffuser with laser speckle reduction capability is demonstrated in this work. A nanoparticle‐doped liquid crystal medium with electrically‐activated time‐varying random domain is prepared and studied. It reduces the speckle contrast from 0.6 to 0.04, which is close to the reported detection limit of speckle by human perception, 0.03.
Identification of Structure and Chemical Occupancy of Emerging Complex Compounds via Analytical Electron Microscopy (2020)

Journal Article Identification of Structure and Chemical Occupancy of Emerging Complex Compounds via Analytical Electron Microscopy Get access Chi Zhang, Chi Zhang Northwestern University, Evanston, Illinois, United States Search for other works by this author on: Oxford Academic Google Scholar Roberto dos Reis, Roberto dos Reis Northwestern University, Evanston, Illinois, United States Search for other works by this author on: Oxford Academic Google Scholar Steven Flynn, Steven Flynn Northwestern University, Evanston, Illinois, United States Search for other works by this author on: Oxford Academic Google Scholar Kenneth Poeppelmeier, Kenneth Poeppelmeier Northwestern University, Evanston, Illinois, United States Search for other works by this author on: Oxford Academic Google Scholar Vinayak Dravid Vinayak Dravid Northwestern University, Evanston, Illinois, United States Search for other works by this author on: Oxford Academic Google Scholar Microscopy and Microanalysis, Volume 26, Issue S2, 1 August 2020, Pages 744–746, https://doi.org/10.1017/S1431927620015706 Published: 01 August 2020
Tunable Subnanometer Gap Plasmonic Metasurfaces (2017)

The index of refraction governs the flow of light through materials. At visible and near-infrared wavelengths the real part of the refractive index is limited to less than 3 for naturally occurring transparent materials, fundamentally restricting applications. Here, we carried out experiments to study the upper limit of the effective refractive index of self-assembled metasurfaces at visible and near-infrared wavelengths. The centimeter-scale metasurfaces were made of a hexagonally close packed (HCP) monolayer of gold nanospheres coated with tunable alkanethiol ligand shells, controlling the interparticle gap from 2.8 to 0.45 nm. In contrast to isolated dimer studies, the macroscale areas allow for billions of gaps to be simultaneously probed and the HCP symmetry leads to large wavelength shifts in the resonance mode, enabling subnanometer length scale mechanisms to be reproducibly measured in the far-field. We demonstrate for subnanometer gaps that the optical response of the metasurfaces agrees well with a classical (local) model, with minor nonlocal effects and no clear evidence of ligand-mediated charge transfer at optical frequencies. We determine the effective real part of the refractive index for the metasurfaces has a minimum of 1.0 for green-yellow colors, then quickly reaches a maximum of 5.0 in the reds and remains larger than 3.5 far into the near-infrared. We further show changing the terminal group and conjugation of the ligands in the metasurfaces has little effect on the optical properties. These results establish a pragmatic upper bound on the confinement of visible and near-infrared light, potentially leading to unique dispersion engineered coatings.
CD8β Increases CD8 Coreceptor Function and Participation in TCR–Ligand Binding (1996)

To study the role of CD8 beta in T cell function, we derived a CD8 alpha/beta-(CD8-/-) T cell hybridoma of the H-2Kd-restricted N9 cytotoxic T lymphocyte clone specific for a photoreactive derivative of the Plasmodium berghei circumsporozoite peptide PbCS 252-260. This hybridoma was transfected either with CD8 alpha alone or together with CD8 beta. All three hybridomas released interleukin 2 upon incubation with L cells expressing Kd-peptide derivative complexes, though CD8 alpha/beta cells did so more efficiently than CD8 alpha/alpha and especially CD8-/- cells. More strikingly, only CD8 alpha/beta cells were able to recognize a weak agonist peptide derivative variant. This recognition was abolished by Fab' fragments of the anti-Kd alpha 3 monoclonal antibody SF1-1.1.1 or substitution of Kd D-227 with K, both conditions known to impair CD8 coreceptor function. T cell receptor (TCR) photoaffinity labeling indicated that TCR-ligand binding on CD8 alpha/beta cells was approximately 5- and 20-fold more avid than on CD8 alpha/a and CD8-/- cells, respectively. SF1-1.1.1 Fab' or Kd mutation D227K reduced the TCR photoaffinity labeling on CD8 alpha/beta cells to approximately the same low levels observed on CD8-/- cells. These results indicate that CD8 alpha/beta is a more efficient coreceptor than CD8alpha/alpha, because it more avidly strengthens TCR-ligand binding.
Supplementary Figure Legends from A Modified Nucleoside 6-Thio-2′-Deoxyguanosine Exhibits Antitumor Activity in Gliomas (2023)

&lt;p&gt;Supplementary Figure Legends&lt;/p&gt;
Role of cavitation in stone fragmentation by shock wave lithotripsy (2002)

Several strategies were used to assess the importance of cavitation in the breakage of stones by an electrohydraulic lithotripter in vitro. (1) Stones exposed to SWs at atmospheric pressure broke readily. However, stones treated at high overpressure (OP∼125 atm) sufficient to eliminate cavitation did not break into fragments even with twice the number of SWs. Stones at OP did, however, develop transverse fractures typical of spall. This suggests that cavitation contributes to stone fragmentation, but is clearly not the only mechanism involved in stone breakage. (2) Cylindrical model stones positioned vertically in the acoustic field of a research-EHL showed proximal erosion and spall. However, placement of a mylar disk against the flat leading face of the stone eliminated cavitation-erosion, and spall did not occur. This suggests that cavitation may contribute to stone fracture by spall. (3) Time reversal of the lithotripter wave form using a pressure release reflector (Prel) also prevented stone fragmentation. With the Prel insert the tensile phase of the SW preceding the compressive wave bubble growth is interrupted by P+ and, thus, cavitation is suppressed. Together, these results suggest that cavitation plays an important role in the breakage of stones by lithotripter shock waves. [Work supported by NIH P01-DK43881.]
Supplementary Figure 2 from Hsp27 Regulates Epithelial Mesenchymal Transition, Metastasis, and Circulating Tumor Cells in Prostate Cancer (2023)

&lt;p&gt;PDF file - 61K, Hsp27 targeting siRNA has similar effects on EMT as stable Hsp27 knockdown.&lt;/p&gt;
Supplementary Fig. S1 from MicroRNA expression profiles for the NCI-60 cancer cell panel (2023)

Supplementary Fig. S1 from MicroRNA expression profiles for the NCI-60 cancer cell panel
A non-intrusive PESQ measure (2014)

We present NISQ, a data-driven non-intrusive speech quality measure that has been trained to predict the PESQ score for a given speech signal. NISQ is based on feature extraction and a binary tree regression based model. A training method using the intrusive PESQ algorithm to automatically label large quantities of speech data is presented and utilized. Our method is shown to predict PESQ with an RMS error of 0.49 on our test database.