gebhart/patrepeval huggingface dataset:
Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses (2022)

Drugs targeting SARS-CoV-2 could have saved millions of lives during the COVID-19 pandemic, and it is now crucial to develop inhibitors of coronavirus replication in preparation for future outbreaks. We explored two virtual screening strategies to find inhibitors of the SARS-CoV-2 main protease in ultralarge chemical libraries. First, structure-based docking was used to screen a diverse library of 235 million virtual compounds against the active site. One hundred top-ranked compounds were tested in binding and enzymatic assays. Second, a fragment discovered by crystallographic screening was optimized guided by docking of millions of elaborated molecules and experimental testing of 93 compounds. Three inhibitors were identified in the first library screen, and five of the selected fragment elaborations showed inhibitory effects. Crystal structures of target-inhibitor complexes confirmed docking predictions and guided hit-to-lead optimization, resulting in a noncovalent main protease inhibitor with nanomolar affinity, a promising in vitro pharmacokinetic profile, and broad-spectrum antiviral effect in infected cells.
CABTAB -A Factual Analysis Concerned with Travelling Issues, Specifically for An Organization (2020)

In this advanced time, innovations have been indulged deeply and has brought draconian change in one's lifestyle, adding with it the current era of technologies-network connectivity and Wi-Fi connections has raised an extensive platform which has risen to on-demand services like Ridesharing. Being inclined by the Ridesharing /Carpooling App-based services such as Easy Taxi, Metro Cab, etc. which superintends bookings by means of Request. Uber, one of the most leading competitors in the ridesharing business have grabbed a traction on the market and serving citizens effectively but the underlying contest is none of them workings contained by a distinct association. Therefore, we have portrayed the concept of ridesharing for an organization, an IOS Application version 12.3.1, XCode 9 as an IDE for the coding of the Application. For our endeavor contemplating the present database which will be administered across MySQL and Firebase for real-time that supports student/teachers to acquiesce their request and within moments unites you with the driver. Front-end devised on WordPress and Servers will be connected using PHP Web Servers. We are considering Algorithms of Careem, Uber for supervision of the ride's charge and the perception of E-Wallet has also been gathered whose set of rules will be designed. We hope to lay such a groundwork to make better appreciate that how this alternative can diminish the proportion of transit systems and upcoming augmentations may start it on Android Application with more upgradations.
Organ-Specific Scaffolds for <i>In Vitro</i> Expansion, Differentiation, and Organization of Primary Lung Cells (2011)

In light of the increasing need for differentiated primary cells for cell therapy and the rapid dedifferentiation occurring during standard in vitro cultivation techniques, there is an urgent need for developing three-dimensional in vitro systems in which expanded cells display in vivo-like differentiated phenotypes. It is becoming clear that the natural microenvironment provides the optimal conditions for achieving this aim. To this end, we prepared natural decellularized scaffolds of microscopic dimensions that would allow appropriate diffusion of gases and nutrients to all seeded cells. Scaffolds from either the lung or the liver were analyzed for their ability to support growth and differentiation of progenitor alveolar cells and hepatocytes. We observed that progenitor alveolar cells that have been expanded on plastic culture and thus dedifferentiated grew within the lung-derived scaffolds into highly organized structures and regained differentiation markers classical for type I and type II alveolar cells. The cells generated proper alveolar structures, and only 15%-30% of them secreted surfactant proteins in a localized manner for extended periods. Vice versa, liver-derived scaffolds supported the differentiation state of primary hepatocytes. We further demonstrate that the natural scaffolds are organ specific, that is, only cells derived from the same organ become properly differentiated. A proteomic analysis shows significant different composition of lung and liver scaffolds, for example, decorin, thrombospondin 1, vimentin, and various laminin isoforms are especially enriched in the lung. Altogether, our data demonstrate that complex interactions between the seeded cells and a highly organized, organ-specific stroma are required for proper localized cell differentiation. Thus, our novel in vitro culture system can be used for ex vivo differentiation and organization of expanded primary cells.
Clinical Efficacy of Subgingivally Delivered 1.2‐mg Simvastatin in the Treatment of Individuals With Class II Furcation Defects: A Randomized Controlled Clinical Trial (2012)

Locally delivered SMV provides a comfortable and flexible method to improve clinical parameters and also to enhance bone formation.
Over‐production of parathyroid hormone–related peptide results in increased osteolytic skeletal metastasis by prostate cancer cells In vivo (1999)

Prostate carcinoma is one of the most common malignancies affecting males, resulting in a high rate of morbidity and mortality. This hormone-dependent malignancy is characteristically associated with a high incidence of osteoblastic skeletal lesions. However, osteolytic lesions invariably accompany blastic ones. In the current study, we assessed the role of parathyroid hormone–related peptide (PTHRP), a potent bone-resorbing agent, in contributing to bone breakdown and prostatic skeletal metastasis using a syngeneic rat prostate cancer model. The full-length cDNA encoding rat PTHRP was subcloned as a Hind III insert in the sense orientation into the mammalian expression vector pRc-CMV to generate the expression vector pRc-PTHRP-S. Both control and experimental plasmids were stably transfected into low PTHRP-producing Dunning R3227, Mat Ly Lu rat prostate cancer cells. Following antibiotic selection, monoclonal cell lines expressing the highest amount of PTHRP mRNA and immunoreactive PTHRP were selected as experimental tumor cells for further analysis. Increased PTHRP production by these cells had no significant effect in vitro on the invasive capacity of these cells. Control and experimental cells were inoculated s.c. into the right flank or by the intracardiac (i.c.) route into the left ventricle of inbred male Copenhagen rats. No skeletal metastases occurred after s.c. injection with either cells. In contrast, i.c. inoculation led to lumbar vertebra metastasis and consequent hind-limb paralysis. Furthermore, histological examination of skeletal metastases in experimental animals showed a marked increase in osteoclastic activity. Our results demonstrate that PTHRP can increase osteoclastic osteolysis in the presence of focal osseous prostate cancer metastases and may contribute to the lytic lesions which generally accompany osteoblastic lesions in prostate cancer. Int. J. Cancer 80:257–264, 1999. © 1999 Wiley-Liss, Inc.
Polymeric organosilicon systems. XVII. Synthesis and photochemical and conducting properties of poly[<i>o</i>‐and <i>m</i>‐(disilanylene)phenylene]s (1993)

Abstract Poly[ o ‐(tetramethyldisilanylene)phenylene] ( 2a ), poly[ o ‐(1,2‐dimethyldiphenyldisilanylene)‐phenylene] ( 2b ), poly[ m ‐(tetramethyldisilanylene)phenylene] ( 2c ), and poly[ m ‐(1,2‐dimethyldiphenyldisilanylene)phenylene] ( 2d ) were prepared by the sodium condensation reaction of the corresponding 1,2‐and 1,3‐bis (chlorosilyl)benzenes in toluene. Irradiation of thin films of 2a‐2d in air resulted in a rapid decrease of absorption maxima in the ultraviolet region. The photolysis of 2b and 2d in benzene afforded photodegradation products with low molecular weights. When thin films of 2b and 2d were doped with antimony pentafluoride vapor, films which have conductivities of semi‐conductor level were obtained. © 1993 John Wiley & Sons, Inc.
Adjacent channel interference in an OFDM system (2002)

We present expressions for adjacent channel interference calculations for OFDM systems. The expressions presented are general in the sense that they are valid for any kind of transmission window, guard time and symbol time. As two examples the interference expressions are given for rectangular windows and Hanning windows. We also present a method for deriving the interference for a WSSUS channel model. We find that the Hanning window with no guard time reduces the effects of the time and frequency synchronization errors, as well as of the time and Doppler spread, compared to the rectangular window with a guard time of 1/8 of the symbol time.
Aggregate Productivity Growth (2001)

Abstract This chapter seeks to synthesize and extend the emerging literature on the connection between micro- and aggregate productivity growth dynamics. It focuses primarily on the empirical findings and shows that the measured quantitative contribution of reallocation to aggregate productivity growth varies significantly across studies. The objective is to understand the sources of the differences in results across studies. It pursues this objective in two ways. First, it compares the results carefully across studies, taking note of differences on a variety of dimensions including country, sectoral coverage, time period, frequency, and measurement methodology. Second, it exploits establishment-level data for the U.S. manufacturing sector as well as for a few selected service sector industries to conduct an independent investigation of the relevant issues. A commentary is also included at the end of the chapter.
Vitamin D Intoxication Associated with an Over-the-Counter Supplement (2001)

To the Editor: As a group, fat-soluble vitamins are lifesaving at physiologic levels and dangerous at megavitamin levels.1 For many people the word “vitamin” implies something that is beneficial and essential, not potentially poisonous.2 More than one third of people in the United States regularly use dietary supplements.3 We describe a patient with hypercalcemia associated with the ingestion of an over-the-counter vitamin D supplement. A 42-year-old man was hospitalized with symptoms of hypercalcemia of a few weeks' duration. For the past two years, he had been taking a supplement that contained vitamin D3. On admission his serum levels . . .
Cloning and expression in Escherichia coli and Bacillus subtilis of the hemolysin (cereolysin) determinant from Bacillus cereus (1983)

From a cosmid gene bank of Bacillus cereus GP4 in Escherichia coli we isolated clones which, after several days of incubation, formed hemolysis zones on erythrocyte agar plates. These clones contained recombinant cosmids with B. cereus DNA insertions of varying lengths which shared some common restriction fragments. The smallest insertion was recloned as a PstI fragment into pJKK3-1, a shuttle vector which replicates in Bacillus subtilis and E. coli. When this recombinant plasmid (pJKK3-1 hly-1) was transformed into E. coli, it caused hemolysis on erythrocyte agar plates, but in liquid assays no external or internal hemolytic activity could be detected with the E. coli transformants. B. subtilis carrying the same plasmid exhibited hemolytic activity at levels comparable to those of the B. cereus donor strain. The hemolysin produced in B. subtilis seemed to be indistinguishable from cereolysin in its sensitivity to cholesterol, activation by dithiothreitol, and inactivation by antibodies raised against cereolysin. When the recombinant DNA carrying the cereolysin gene was used as a probe in hybridization experiments with chromosomal DNA from a streptolysin O-producing strain of Streptococcus pyogenes or from listeriolysin-producing strains of Listeria monocytogenes, no positive hybridization signals were obtained. These data suggest that the genes for these three SH-activated cytolysins do not have extended sequence homology.
Associations of autoantibodies, autoimmune risk alleles, and clinical diagnoses from the electronic medical records in rheumatoid arthritis cases and non–rheumatoid arthritis controls (2012)

The increased frequency of autoantibodies in RA cases and non-RA controls was associated with the number of autoimmune risk alleles carried by an individual. PheWAS of EMR data, with linkage to laboratory data obtained from blood samples, provide a novel method to test for the clinical significance of biomarkers in disease.
A Practical Synthesis for the Core Structure of a Family of Selective Prostaglandin D<sub>2</sub> Receptor Antagonists (2003)

A convergent synthesis was developed for the production of the core structure of prostaglandin D(2) receptor antagonists for the treatment of allergic rhinitis. The key steps in this synthesis were a highly diastereoselective alkylation of (+)-nopinone, a chemo- and stereoselective reduction of an oxime to an amine, and a well-controlled reduction of an aminoalkyne to a (Z)-olefin.
A Supervised Autonomous Security Response Robot (1999)

Abstract : Autonomous mobile robots typically require a preconceived and very detailed navigational model (map) of their intended operating environment, but most law enforcement and urban warfare response scenarios preclude the availability of such a priori information. ROBART III is an advanced demonstration platform for non-lethal robotic response measures, incorporating a supervised autonomous navigation system specifically configured to support minimally attended operation in previously unexplored interior structures. A human-centered mapping strategy has been developed to ensure valid first-time interpretation of navigational landmarks as the robot builds its world model. The accuracy of the robot's real-time position estimation (and hence the model itself) is significantly enhanced by an innovative algorithm which exploits a heuristic that assumes the majority of man-made structures are characterized by parallel and orthogonal walls. Intruder detection and assessment capabilities are supported by intelligent fusion of data collected by a multitude of various sensors. Initial detection is by a 360-degree array of eight passive-infrared motion detectors responding to the thermal energy gradient created by a moving human target, with partial validation from a Doppler microwave motion detector. The robot's head-mounted sensors (and non-lethal weapon system) are then panned to the center of any perceived disturbance for further assessment. Automatic tracking of any confirmed movement is accomplished through conventional image processing using a black-and-white video surveillance camera equipped with a near-infrared illuminator for low-light conditions.
A comparative study of shuffle-exchange, Manhattan street and supercube network for lightwave applications (2002)

The authors present a comparative study of three different interconnection networks for possible application as the logical interconnection in a lightwave network. They outline a new network topology called supercube and study its performance with respect to the shuffle exchange network and the Manhattan street network. The static characteristics of the networks have been studied through their graph theoretic properties. The dynamic characteristics of the network have been studied through simulation. The results of the simulation study shows that the supercube network outperforms the other two networks consistently.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
ZEN1 Is a Key Enzyme in the Degradation of Nuclear DNA during Programmed Cell Death of Tracheary Elements (2002)

Tracheary elements (TEs) have a unique cell death program in which the rapid collapse of the vacuole triggers the beginning of nuclear degradation. Although various nucleases are known to function in nuclear DNA degradation in animal apoptosis, it is unclear what hydrolase is involved in nuclear degradation in plants. In this study, we demonstrated that an S1-type nuclease, Zinnia endonuclease 1 (ZEN1), functions directly in nuclear DNA degradation during programmed cell death (PCD) of TEs. In-gel DNase assay demonstrated the presence of a 24-kD Ca(2+)/Mg(2+)-dependent nuclease and a 40-kD Zn(2+)-dependent nuclease as well as ZEN1 in 60-h-cultured cells that included differentiating TEs. Such cell extracts possessed the ability to degrade the nuclear DNA isolated from Zinnia elegans cells in the presence of Zn(2+), and its activity was suppressed by an anti-ZEN1 antibody, indicating that ZEN1 is a central DNase responsible for nuclear DNA degradation. The introduction of the antisense ZEN1 gene into Zinnia cells cultured for 40 h specifically suppressed the degradation of nuclear DNA in TEs undergoing PCD but did not affect vacuole collapse. Based on these results, a common mechanism between animal and plant PCD is discussed.
<title>Laser distillation of enantiomers from an isotropic racemic mixture</title> (2001)

In this paper, we elucidate the role of the rotational degree of freedom for the process of laser distillation of enantiomers from a racemic isotropic solution for any possible laser scenario. It is shown that the laser distillation scenario suggested by Shapiro et al., which is based on coherent control, does not work for the achiral synthesis from a racemic isotropic solution. This is due to the fact that rotational degrees of freedom of enantiomers constituting the solution are homogeneously distributed over the Euler angles and averaging over this distribution cancels the effect. A modified scenario is suggested, which works for the case of isotropic racemic solution. A detailed analysis of this scenario shows its efficacy for the preferable synthesis of enantiomers of required handedness.
High-density lipoprotein enhancement of anticoagulant activities of plasma protein S and activated protein C (1999)

Low-density lipoprotein (LDL) and high-density lipoprotein (HDL) cholesterol levels are associated, respectively, with either increased risk or apparent protective effects for atherothrombosis. The ability of purified LDL and HDL to downregulate thrombin formation, a contributor to atherothrombotic processes, was assessed. Purified HDL, but not LDL, significantly enhanced inactivation of coagulation factor Va by activated protein C (APC) and protein S, and HDL stimulated protein S-dependent proteolytic inactivation of Va by APC, apparently due to cleavage at Arg306 in Va. In normal plasma, added HDL enhanced APC/protein S anticoagulant activity in modified prothrombin-time clotting assays. When the anticoagulant potency of HDL was compared with phospholipid (PL) vesicles of well-defined composition using this assay, HDL appeared qualitatively different from PL vesicles because HDL showed only good anticoagulant activity, whereas PL vesicles were rather procoagulant. When 20 normal plasmas were tested using this clotting assay, apoA-I levels correlated with anticoagulant response to APC/protein S (r = 0.47, P = 0.035), but not with activated partial thromboplastin time-based APC resistance ratios. Because HDL enhances the anticoagulant protein C pathway in vitro, we speculate that HDL may help downregulate thrombin generation in vivo and that this anticoagulant action is one of HDL's beneficial activities.
<title>Advancements in dynamic scene projection technologies at the U.S. Army Aviation and Missile Command</title> (2000)

This paper describes the recent addition, characterization, and integration of emerging technologies for dynamic infrared scene projection at the US Army Aviation and Missile Command's (AMCOM) Advanced Simulation Center (ASC). Infrared scene projection performs a vital role in the daily testing of tactical and theatre missile systems within these Hardware-in- the-Loop (HWIL) laboratories. Topics covered within this paper include the addition and characterization of new Honeywell and Santa Barbara infrared emitter arrays, a five-axis flight motion table test configuration, unique calibration/NUC schemes, added software support, verification/validation results, and supplemental projection systems. A new dynamic IR scene projector technology based upon the Digital Micromirror Device<SUP>TM</SUP> is also presented in the paper, as well as example imagery from several of the projector systems.
Preparation of a novel chelating resin bearing amidinothiourea moieties and its removal properties for Hg(II) ions in aqueous solution (2016)

A novel chelating resin bearing amidinothiourea (ADTU) moieties was prepared by chloroethyl crosslinked polystyrene (CMPS) with ADTU in the presence of a phase transfer catalyst. Fourier transform infrared spectra (FT-IR) and scanning electron microscopy (SEM) were used to characterized the resulting chelating resin. The saturated adsorption capacity of Hg(II) ions estimated from the Langmuir model was up to 1215 mg g−1at 313 K. Furthermore, the resin was able to selectively separate Hg(II) from multicomponent solutions with Cd(II), Co(II), Cu(II), Zn(II), Mg(II) and Pb(II). The desorption process showed the mercury recovery reached to 99.2% under eluting condition of 1 M HCl + 8% thiourea.
Single-Ended Loop Testing (SELT) - New Architecture (2007)

Nowadays the embedded copper plant is revitalized for digital subscriber lines (DSL), and identification of the loop make-up is vital for determining what types of DSLs may be deployed and what bit rates they may transmit. Single ended loop testing (SELT) is new emerged loop test and qualification technology. It's essential for achieving low-cost deployment of DSL, since it allows loops to be qualified in bulk and does not involve any human intervention at the customer's location. Though there are several approaches and tools can realize SELT, most of them can't incorporate with DSL chipsets. This paper proposes a novel technique, which can be easily incorporate with the DSL chipsets and accurately qualify a telephone lines. This measurement technique is accord with the Gselt functional model which is proposed by ITU. The measurement technique consists of energizing the line with a spread spectrum signal through the line that is reflected back at the discontinuity. Use correlation length measuring principle by calculate the correlation between the reflected signal and the original transmitted signal it is easy to get the knowledge of the loop make-up. Then in addition using a direct measurement of the PSD it can pre-qualify the loop.
Up-Regulation of TIMP-1 by Genipin Inhibits MMP-2 Activities and Suppresses the Metastatic Potential of Human Hepatocellular Carcinoma (2012)

Our findings demonstrated the potential of genipin in suppressing hepatocellular carcinoma metastasis, and p38/TIMP-1/MMP-2 pathway may be involved as the key mechanism of its anti-metastasis effect.
Wi-Fi-based indoor positioning: Basic techniques, hybrid algorithms and open software platform (2010)

In urbanized and indoor environments, outdoor positioning systems, such as Global Navigation Satellite Systems (GNSSs), are often inaccurate and adaptations of such systems to those contexts are expensive and hard to deploy. Nowadays, a lot of indoor positioning techniques have been studied, but it it quite difficult to objectively evaluate and compare their accuracies in the same environment. Our Open Wireless Positioning System (OWLPS) allows a comparison of indoor positioning algorithms and techniques with the same input data. Those techniques include propagation models, signal strength map, building topology, description of access points... Few algorithms use a Viterbi-like algorithm to take into account the pathway of the mobile terminal. This paper presents a new hybrid algorithm combining a signal strength cartography and a calibrated propagation model. Finally, we compare our solution with well known algorithms in order to evaluate the results in a real context.