gebhart/patrepeval huggingface dataset:
Cover Picture: Structure–Activity Relationship for the First‐in‐Class Clinical Steroid Sulfatase Inhibitor Irosustat (STX64, BN83495) (ChemMedChem 11/2011) (2011)

The cover picture shows as the central molecule 6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta-[c][1]benzopyran-3-0-sulfamate, the “first-in-class” tricyclic clinical drug irosustat (STX64, BN83495), designed by medicinal chemists at the University of Bath (UK), in a space filling representation based upon an X-ray crystal structure reported herein, and flanked by molecules of its target protein, human steroid sulfatase (STS), each protein molecule being rendered in a different representation. STS hydrolyses the sulfate moiety of a conjugated steroid sulfate to its parent steroid. The background shows a false-colour immunohistochemical staining of STS in the cytoplasm of malignant breast epithelial carcinoma cells, illustrating the abundance of enzyme that could provide a prognostic marker of drug efficacy. Binding of irosustat to active STS results in a time- and concentration-dependent irreversible inhibition of the enzyme with the clinical effect of reducing levels of oestrogenic steroids in patients suffering from diverse hormone-dependent cancers. The core structural motifs of irosustat, particularly an unsubstituted aryl sulfamate pharmacophore, are crucial for optimal activity. For more details, see the Full Paper by Barry V. L. Potter et al. on p. 2019 ff.
Numerical Study of the Impact of Manifold and Microchannel Geometry on Flow Uniformity and Pressure Characteristics Within a Parallel Microchannel Array (2012)

Flow uniformity between individual channels within a microchannel array can be a significant factor affecting the performance of laminated-sheet chemical microreactors and micro-heat exchangers. Small dead volume and low residence time through the manifold are also typically favorable in these applications. In the specific application where mass transfer is desired between membrane-separated layers of microchannels, the use of shallow microchannels is important for achieving effective diffusion but negatively impacts the flow distribution among the channels. However, by implementing a thoughtful manifold design the manifold volume can be minimized while maintaining flow uniformity. In this study, numerical modeling is used to quantitatively investigate the impact of the geometry of the manifold and the structural parameters of the microchannels on desired uniformity and pressure drop within the low-Reynolds number system. The CFD tool COMSOL is used for the simulations.
Site-Specific Replacement of Y 356 with 3,4-Dihydroxyphenylalanine in the β2 Subunit of E. coli Ribonucleotide Reductase (2006)

E. coli ribonucleotide reductase (RNR), composed of the homodimeric subunits alpha2 and beta2, catalyzes the conversion of nucleotides to deoxynucleotides via complex radical chemistry. The radical initiation process involves a putative proton-coupled electron transfer (PCET) pathway over 35 A between alpha2 and beta2. Y356 in beta2 has been proposed to lie on this pathway. To test this model, intein technology has been used to make beta2 semi-synthetically in which Y356 is replaced with a DOPA-amino acid. Analysis of this mutant with alpha2 and various combinations of substrate and effector by SF UV-vis spectroscopy and EPR methods demonstrates formation of a DOPA radical concomitant with disappearance of the tyrosyl radical, which initiates the reaction. The results reveal that Y356 lies on the PCET pathway and demonstrate the first kinetically competent conformational changes prior to ET. They further show that substrate binding brings about rapid conformational changes which place the complex into its active form(s) and suggest that the RNR complex is asymmetric.
Experimental Evaluation of the Optical Properties of Porous Silica/Carbon Composite Particles (2003)

Light scattering by porous spheroidal silica and several silica/carbon composite particles having different carbon contents was systematically investigated using a laser particle counter coupled with a pulse height analyzer (LPC-PHA). A new and simple method for the measurements of the effective complex refractive index of silica/carbon composite particles using a conventional LPC-PHA system and a differential mobility analyzer was introduced and tested. Challenge particles, from pure silica to silica/carbon compounds having a gradually increasing porous structure, were prepared by spray-drying methods for use in testing of the inversion method. By representing the deviation of the real part of the refractive index of a porous silica particle versus the size on a topographical map, the inversion method for the determination of the real part of the refractive indices was found to have a satisfactory precision. Furthermore, the method can be applied to the measurement of the complex refractive index of silica/carbon composite particles by extending the best fitting method to complex refractive indices. The effective complex refractive index of silica/carbon composite particles as a function of their carbon content is reported. Both the real and imaginary parts of the complex refractive index were increased with increasing carbon content of the composite particles.
Softening overly demanding requirements in recommendation system (2023)

Used in multiple industries, recommender systems enhance the user experience by creating personalized item suggestions. However, without bias awareness, the system could output unfavorable results, leading to the item under-recommendation bias. To decrease this type of bias, creating a fair top-k list (i.e., list of top-ranked items by the user) is needed. Based on the debiased personalized ranking model (DPR) proposed in the works of Zhu et al., the paper aims to reduce item under-recommendation bias in recommender systems in the Bayesian Personalized Ranking (BPR) recommendation model. This is done by applying several fairness metrics, creating fairness through an adversarial component, and using an autoencoder on the data. The advantages of the new proposed model are proven through two sets of experiments based on multiple datasets and baselines, respectively. This results in a solution that is dozens of times more efficient compared to previously proposed ones.
Classification of Diabetes Mellitus and Other Categories of Glucose Intolerance (2003)

Abstract Accurate and appropriate classification of a disease is vital to its study and treatment. The classification of diabetes and other states of glucose intolerance has undergone a number of changes over the last few decades, reflecting progress in the understanding of the condition. The most recent update by the World Health Organization and American Diabetes Association has changed the classification from one based on treatment to one based on underlying pathological processes. Impaired glucose tolerance and impaired fasting glucose are included within this framework, recognizing the importance of these conditions as risk factors for both cardiovascular disease and future diabetes. This chapter details the changes made, and discusses the implications of the new classification.
Microstructure and Mechanical Property of Glutaraldehyde-Treated Porcine Pulmonary Ligament (2016)

There is a significant need for fixed biological tissues with desired structural and material constituents for tissue engineering applications. Here, we introduce the lung ligament as a fixed biological material that may have clinical utility for tissue engineering. To characterize the lung tissue for potential clinical applications, we studied glutaraldehyde-treated porcine pulmonary ligament (n = 11) with multiphoton microscopy (MPM) and conducted biaxial planar experiments to characterize the mechanical property of the tissue. The MPM imaging revealed that there are generally two families of collagen fibers distributed in two distinct layers: The first family largely aligns along the longitudinal direction with a mean angle of θ = 10.7 ± 9.3 deg, while the second one exhibits a random distribution with a mean θ = 36.6 ± 27.4. Elastin fibers appear in some intermediate sublayers with a random orientation distribution with a mean θ = 39.6 ± 23 deg. Based on the microstructural observation, a microstructure-based constitutive law was proposed to model the elastic property of the tissue. The material parameters were identified by fitting the model to the biaxial stress-strain data of specimens, and good fitting quality was achieved. The parameter e0 (which denotes the strain beyond which the collagen can withstand tension) of glutaraldehyde-treated tissues demonstrated low variability implying a relatively consistent collagen undulation in different samples, while the stiffness parameters for elastin and collagen fibers showed relatively greater variability. The fixed tissues presented a smaller e0 than that of fresh specimen, confirming that glutaraldehyde crosslinking increases the mechanical strength of collagen-based biomaterials. The present study sheds light on the biomechanics of glutaraldehyde-treated porcine pulmonary ligament that may be a candidate for tissue engineering.
Enabling FPGA support in Matlab based heterogeneous systems (2014)

FPGAs have been shown to provide orders of magnitude improvement over CPUs and GPUs in terms of absolute performance and energy efficiency for various kernels such as Cholesky decomposition, matrix inversion, and FFT among others. Despite this, the overall performance of many applications suffer when implemented entirely in FPGAs. Combining FPGAs with CPUs and GPUs provides the range of capabilities needed to support diverse computational requirements of applications. Integrating FPGAs into these systems challenges application developers with constructing hardware kernel implementations and interfacing from the low level hardware logic in the FPGA to the high speed networks that connect processors in the system. In this work we extend the compute capabilities of Matlab by incorporating support for FPGAs and automating the parallel code generation. We characterize the system and evaluate the performance gains that can be achieved by adding the FPGA for two compute intensive applications. We present performance results for medical imaging and fluid dynamics applications implemented in a CPU+GPU+FPGA system and achieved up to 40× improvement compared to the standard Matlab CPU+GPU environment.
Transcription factor levels in medullary thyroid carcinoma cells differentiated by Harvey ras oncogene: C-jun in increased (1990)

In the TT cell line of human medullary thyroid carcinoma, the viral Harvey ras (v-rasH) oncogene induces differentiation, marked by morphological changes, diminution of growth, and increased expression of the calcitonin gene. Here, we show that the transcriptional factor c-jun is increased during v-rasH induced differentiation of TT cells both at the mRNA and functional protein levels. In contrast, nuclear proteins with binding activities related to AP2, AP3, NF1/CTF, and Sp1 were unchanged in v-rasH differentiated TT cells.
Passive Reflectors for Enhancing Cellular UAV Coverage (2022)

Current fourth-generation (4G) long-term evolution (LTE) base-stations (BSs) that are not capable of performing elevation beamforming are down-tilted in order to optimize the throughput of ground user equipment (GUE). As a consequence of this down-tilt, unmanned aerial vehicles (UAVs), especially those at higher altitudes, are forced to connect with the BS side-lobes, resulting in increased transmit powers and interference to other GUEs and UAVs. In this paper, we propose using passive reflectors placed close to the BS as a low-cost alternative to elevation beamforming to compensate for the reduced antenna gain, and consequently, the increased pathloss between the BS and UAVs. The effectiveness of such reflectors in lowering the interference and increasing throughputs is tested through extensive simulations using the recently introduced third-generation partnership project aerial channel models.
Effect of Mg content and intermediate annealing on r-value in Al-Mg alloy sheets. (1998)

Effects of Mg content and intermediate annealing on r-value were studied in Al–Mg alloy sheets with Mg content of 0~7%. In the condition without intermediate annealing, r0 and r90 were higher than r45 in pure aluminum and Al–Mg alloys with Mg content less than 4%, while r45 was higher than r0 and r90 in Al–Mg alloys with Mg content more than 4%. The recrystallization texture was mainly {100}<001> in the former and {310}<132> in the latter. Intermediate annealing with the final cold rolling of about 30% increased r-value and decreased planar anisotropy in Al–Mg alloy sheets. The mean r-value, r, was higher with intermediate annealing than without intermediate annealing, and Mg content dependence of r was minimized with intermediate annealing in Al–Mg alloys with Mg content above 3%. The recrystallization texture was found to be very random and considered to be responsible for such effect of intermediate annealing. Light cold rolling of about 10% after intermediate annealing gave rise to high r with large planar anisotropy. The recrystallization texture was revealed to be {145} <321>, and was regarded to be caused by strain-induced grain boundary migration.
Data from The Effect of Mouse Strain, Sex, and Carcinogen Dose on Toxicity and the Development of Lung Dysplasia and Squamous Cell Carcinomas in Mice (2023)

&lt;div&gt;Abstract&lt;p&gt;In order to translate new treatments to the clinic, it is necessary to use animal models that closely recapitulate human disease. Lung cancer develops after extended exposure to carcinogens. It has one of the highest mutation rates of all cancer and is highly heterogenic. Topical treatment with N-nitrosotris-(2-chloroethyl)urea (NTCU) induces lung squamous cell carcinoma (SCC) with nonsynonymous mutation rates similar to those reported for human non–small cell lung cancer. However, NTCU induces lung cancer with variable efficacy and toxicity depending on the mouse strain. A detailed characterization of the NTCU model is needed. We have compared the effect of three different NTCU doses (20, 30, and 40 mmol/L) in female and male of NIH Swiss, Black Swiss, and FVB mice on tumor incidence, survival, and toxicity. The main findings in this study are (1) NIH Swiss mice present with a higher incidence of SCC and lower mortality compared with Black Swiss and FVB mice; (2) 30 mmol/L NTCU dose induces SCC at the same rate and incidence as the 40 mmol/L dose with lower mortality; (3) female mice present higher grade and incidence of preinvasive lesions and SCC compared with males; (4) NTCU-induced transformation is principally within the respiratory system; and (5) NTCU treatment does not affect the ability to elicit a specific adaptive immune response. This study provides a reference point for experimental designs to evaluate either preventive or therapeutic treatments for lung SCC, including immunotherapies, before initiating human clinical trials.&lt;/p&gt;&lt;/div&gt;
Crystal structure of Tris(ethane-1,2-diamine)nickel(II) diperchlorate monohydrate (1978)

The crystal structure of the title compound, [Ni(en)3] (ClO4)2,H2O, has been determined from single-crystal X-ray diffraction data at 295(1) K and refined by least squares to a residual of 0.093 for 1400 'observed' reflections. Crystals are orthorhombic, P bca, a 17.043(7), b 15.922(6), c 13.496(5) ?, Z 8. The precision of the structure determination is adversely affected by very high perchlorate thermal motion. &amp;lt;Ni-N&amp;gt; is 2.13 ?.
Pilot-subcarrier based impulsive noise mitigation for underwater acoustic OFDM systems (2016)

Orthogonal frequency-division multiplexing (OFDM) technique has become a popular choice for underwater acoustic (UA) networks recently. Impulsive noise is one of the factors that limit the performance of this technique, and the mitigation of impulsive noise receives increasing attention in the UA communication community. In this paper, a pilot-based algorithm is proposed to mitigate the impact of impulsive noise. The proposed algorithm introduces a special OFDM block as preamble during which impulsive noise mitigation is performed using the null subcarriers and then the channel response is estimated using pilot subcarriers. By assuming that the channel is quasi-stationary, the proposed algorithm adopts the channel estimation result of the previous block to estimate and mitigate the impulsive noise of the current block. We apply the proposed algorithm to process the data collected during the experiment conducted in December 2015, in the estuary of the Swan River, Western Australia. The results show that the proposed approach is able to mitigate the impulsive noise for UA OFDM systems.
Magnesium sulfate prevents alcohol-induced spasms of cerebral blood vessels: an in situ study on the brain microcirculation from male versus female rats. (1993)

Numerous studies indicate that alcohol can cause neural and vascular damage in the brain. Additional studies indicate that magnesium ions (Mg2+) possess the ability to modify vascular tone. We utilized an image-splitting television microscope recording system in an intact rat brain model in order to determine whether local (topical) application or systemic (intravenous or intra-arterial) administrations of MgSO4 exert vasodilator effects on cerebral arterioles (66-124 microns o.d.) and venules (66-137 microns o.d.). In addition, we investigated whether infusion of low doses of MgSO4 could modify cerebral vascular spasms induced by ethanol and a calcium mimic, i.e., Ba2+. Topical applications of MgSO4 (i.e., 1-100 mumol) in male and female rats produced dose-dependent dilations of cerebral arterioles and venules; male animals were clearly more sensitive to Mg2+. Systemic infusion of low doses of MgSO4 (i.e., 1.0 and 4.0 mumol/min) into the femoral vein or a branch of the internal carotid artery failed, completely, to induce changes in arterial blood pressure or diameter of arterioles and venules. However, such nonvasodilator doses of MgSO4, infused via either route, inhibited contractile responses induced by 5% Ba2+ and 10% ethanol in arterioles and venules in a dose-dependent manner in both male and female rats. Cerebral microvessels of male animals were more sensitive to inhibitory actions of Mg2+ against Ba(2+)-induced microvascular constrictions than were microvessels of females. Administration of a variety of pharmacologic antagonists as well as a cyclo-oxygenase inhibitor failed to influence either the local vasodilator effects of Mg2+ or the inhibitory actions of Mg2+. Basal plasma levels of Mg were higher in female vs. male rats (1.98 +/- 0.06 vs. 1.77 +/- 0.028 mg/dl). Systemic administration of MgSO4 in cerebral nonvasodilator doses resulted in rapid elevation of plasma Mg levels in a dose-dependent manner (e.g., 0.3-4.3 mg/dl over control levels). Plasma Mg levels were more elevated in female than male animals. It is concluded that magnesium ions can act as local vasodilators, in physiologic doses, on brain microvessels and that these divalent cations possess antispasmodic activities, in nonvasodilator doses, on intact rat brain arterioles and venules. In addition, our findings suggest that Mg2+ might be useful in the treatment and prevention of alcohol-induced brain vascular damage.
Source Separation for Enabling Dialogue Enhancement in Object-based Broadcast with MPEG-H (2019)

Dialogue Enhancement (DE) is one of the most promising applications of user interactivity enabled by object-based audio broadcasting. DE allows personalization of the relative level of dialogue for intelligibility or aesthetic reasons. This paper discusses the implementation of DE in object-based audio transport with MPEG-H, with a special focus on source separation methods enabling DE also for legacy content without original objects available. The userbenefit of DE is assessed using the Adjustment/Satisfaction Test methodology. The test results demonstrate the need for an individually adjustable dialogue level because of highly-varying personal preferences. The test also investigates the subjective quality penalty from using source separation for obtaining the objects. The results show that even an imperfect separation result can successfully enable DE leading to increased end-user satisfaction.
Supplementary Methods from Loss of Cell-Surface Laminin Anchoring Promotes Tumor Growth and Is Associated with Poor Clinical Outcomes (2023)

&lt;p&gt;PDF file - 109K&lt;/p&gt;
ChemInform Abstract: New Synthesis of (d,l)‐cis‐2‐Desmethyl and 2,2‐Didesmethyl Chrysanthemic Acids. (1992)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Long-range single-mode OTDR, ultimate performance and potential uses (1984)

A high-performance single-mode optical time-domain reflectometer (OTDR) is described. Dynamic ranges of 30dB and 41dB one-way are achieved using laser diode and Nd:YAG laser sources respectively. A new OTDR technique allows absolute splice-loss measurements as well as active splice alignment to be performed from one cable end only.
Complement anaphylatoxins C3a and C5a: Emerging roles in cancer progression and treatment (2017)

Recent insights into the role of complement anaphylatoxins C3a and C5a in cancer provide new opportunities for the development of innovative biomarkers and therapeutic strategies. These two complement activation products can maintain chronic inflammation, promote an immunosuppressive microenvironment, induce angiogenesis, and increase the motility and metastatic potential of cancer cells. Still, the diverse heterogeneity of responses mediated by these peptides poses a challenge both to our understanding of the role played by these molecules in cancer progression and to the development of effective treatments. This review attempts to summarize the evidence surrounding the involvement of anaphylatoxins in the biological contexts associated with tumor progression. We also describe the recent developments that support the inhibition of anaphylatoxins, or their cognate receptors C3aR and C5aR1, as a treatment option for maximizing the clinical efficacy of current immunotherapies that target the PD-1/PD-L1 immune checkpoint.
CMOS Failure Mechanisms (2009)

This chapter contains sections titled: Tables of CMOS ESD Failure Mechanisms LOCOS Isolation-Defined CMOS Shallow Trench Isolation (STI) Polysilicon-Defined Devices Lateral Diode with Block Mask MOSFETs Resistors Interconnects: Wires, Vias, and Contacts ESD Failure in CMOS Nanostructures Closing Comments and Summary Problems References