gebhart/patrepeval huggingface dataset:
A new model of binding of rifampicin and its amino analogues as zwitterions to bacterial RNA polymerase (2012)

Seven new benzyl (3-9) and four new phenethyl (10-13) amino analogues of ansa-macrolide rifampicin (1) were synthesized using the optimised method of reductive amination. Structures of 3-13 in solution were determined by 1D and 2D NMR and FT-IR methods whereas the energetically most favoured conformation of amino analogues was calculated with the use of the PM5 method. Spectroscopic and semi-empirical studies revealed the presence of zwitterionic forms of all 3-13 analogues in solutions containing water traces. (1)H-(15)N HSQC and (1)H-(15)N HMBC in combination with (1)H-(1)H COSY and (1)H-(13)C HMBC two dimensional spectroscopic methods unambiguously evidenced that the presence of the zwitterionic form of ansa-macrolides was a consequence of proton transfer from the O(8)-H phenolic group to the secondary amine moiety within 3-13 structures. (1)H-(1)H NOESY studies indicated two different orientations of the substituent introduced at the C(3) position for benzyl and phenethyl amino analogues of rifampicin and their similar conformation within the ansa-bridges in solution. FT-IR studies of the deprotonation of molecule and comparison of these data with those for indicated 3-13 C(8)=O double bond character after formation of zwitterions in solution. Results of an antibacterial test against Gram-(-) and Gram-(+) strains were compared with detailed structural information on new analogues of 3-13 to indicate some structure-activity relationships. Molecular recognition studies of 1 and 12 inhibitors at the binding site of bacterial RNA polymerase (RNAP) as zwitterions revealed key intermolecular interactions and led to the proposition of a new model of RNAP inhibition, which explains significant differences in antibacterial properties of rifampicin and its analogues.
An SVM Framework for Genre-Independent Scene Change Detection (2007)

We present a novel genre-independent SVM framework for detecting scene changes in broadcast video. Our framework works on content from a diverse range of genres by allowing sets of features, extracted from both audio and video streams, to be combined and compared automatically without the use of explicit thresholds. For ground truth, we use hand-labeled video scene boundaries from a wide variety of broadcast genres to generate positive and negative samples for the SVM. Our experiments include high-and low-level audio features such as semantic histograms and distances between Gaussian models, as well as video features such as shot cut positions. We evaluate the importance of these measures in a structured frame-work, with performance comparisons obtained via ROC curves. We achieve over 70% detection rate for 10% false positive rate on our corpus of over 7.5 hours of data collected from news, talk shows, sitcoms, dramas, music videos, and how-to shows.
Response of normal subjects to inspiratory resistive unloading (1989)

The purpose of this study was to examine the role of the normal inspiratory resistive load in the regulation of respiratory motor output in resting conscious humans. We used a recently described device (J. Appl. Physiol. 62: 2491-2499, 1987) to make mouth pressure during inspiration positive and proportional to inspiratory flow, thus causing inspiratory resistive unloading (IRUL); the magnitude of IRUL (delta R = -3.0 cmH2O.1(-1).s) was set so as to unload most (approximately 86% of the normal inspiratory resistance. Six conscious normal humans were studied. Driving pressure (DP) was calculated according to the method of Younes et al. (J. Appl. Physiol. 51: 963-1001, 1981), which provides the equivalent of occlusion pressure at functional residual capacity throughout the breath. IRUL resulted in small but significant changes in minute ventilation (0.6 1/min) and in end-tidal CO2 concentration (-0.11%) with no significant change in tidal volume or respiratory frequency. There was a significant shortening of the duration (neural inspiratory time) of the rising phase of the DP waveform and the shape of the rising phase became more convex to the time axis. There was no change in the average rate of rise of DP or in the duration or shape of the declining phase. We conclude that 1) the normal inspiratory resistance is an important determinant of the duration and shape of the rising phase of DP and 2) the neural responses elicited by the normal inspiratory resistance are similar to those observed with added inspiratory resistive loads.
Dibenzopentarylenebis(dicarboximide)s: Novel near-infrared absorbing dyes (2006)

The facile synthesis of the new class of core-extended rylene chromophores, dibenzopentarylenebis(dicarboximide)s, having an intense absorption at 1020-1040 nm, is presented.
ChemInform Abstract: PREPARATION, CHEMISTRY, AND VANADIUM‐51 NMR SPECTROSCOPY OF (P‐TOLYLIMIDO)VANADIUM(V) COMPLEXES (1984)

Abstract p‐Tolylisocyanat reagiert in Octan mit VOCI; (3 h Rückfluß) zu dem Komplex (I) (87% Ausb.), der sich als Lewissäure verhält und mit Donatorliganden Additionskomplexe (II) bildet.
Stimulated Emission into Optical Whispering Modes of Spheres (1961)

Stimulated emission into optical whispering modes of a spherical sample of Ca${\mathrm{F}}_{2}$: ${\mathrm{Sm}}^{++}$ has been observed. Light produced by the stimulated emission is radiated tangentially form each point on the surface of the sphere. The experimental results have been interpreted in terms of the electromagnetic analog of the Rayleigh theory of the whispering gallery.
Medical Microbiology: A Short Course (1994)

Medical microbiology: a short course , Medical microbiology: a short course , مرکز فناوری اطلاعات و اطلاع رسانی کشاورزی
The Vector Harmonic Analysis of Laplace’s Tidal Equations (1985)

A modal analysis is presented of the linearized shallow-water equations on the sphere called Laplace’s tidal equations, using the spherical vector harmonics. The present approach is more compact and conceptually simpler than past analyses in which the order of the differential equation was raised. The modes, called Hough harmonics, are expressed as a series in the spherical Vector harmonics whose coefficients are then computed as the eigenvectors of an infinite, banded, symmetric, linear system of equations. The frequencies of the modes are determined as the eigenvalues of the banded system. New zonal rotational modes for zonal wavenumber $m = 0$ are obtained as the limit of Hough vector harmonics as m tends to zero. Although the zonal rotational modes are not unique, this new set of functions shares many properties with the nonzonal rotational modes, including orthogonality of characteristic functions. Some limiting cases of the Hough harmonics are also discussed, including the Haurwitz modes, which are determined as the limit of solutions to the untransformed shallow-water equations as the equivalent height tends to infinity. Finally, a description of the software for computing the Hough harmonics as well as the Haurwitz modes is presented. This software package is available from the National Center for Atmospheric Research and consists of four user-entry FORTRAN subroutines. Subroutine SIGMA computes the frequencies of the normal modes. Subroutine ABCOEF computes the coefficients in the expansion of the normal modes in terms of the spherical vector harmonics. Subroutine UVH tabulates the components of the meridional structure of the Hough vector functions and subroutine UVHDER tabulates certain derivatives of the components.
The recombinant plant Bauhinia bauhinioides elastase inhibitor reduces rat thrombus without alterations in hemostatic parameters (2021)

The anti-inflammatory effects of the plant protease inhibitor BbCI (Bauhinia bauhinioides cruzipain inhibitor), which blocks elastase, cathepsin G, and L, and proteinase 3 has been demonstrated. Here, we investigated the recombinant rBbCI-His<sub>(6)</sub> (containing a histidine tail) in an experimental venous thrombosis model of vena cava (VC) ligature in rats, comparing to heparin. We evaluate the effects of the inhibitors (native or recombinant) or heparin on the activated partial thromboplastin time (aPTT) and prothrombin time (PT) in human and rat plasmas. The rats undergoing treatment received a saline solution or increasing concentrations of rBbCI-His<sub>(6)</sub>, heparin, or a mixture of both. After 4 h of ligature VC, thrombus, if present was removed and weighed. aPTT, PT, and cytokines were measured in blood collected by cardiac puncture. aPTT, PT, and bleeding time (BT) were also measured at the time of VC (vena cava) ligature. rBbCI-His<sub>(6)</sub> (0.45 or 1.40 mg/kg) does not alter aPTT, PT or BT. No differences in coagulation parameters were detected in rBbCI-His<sub>(6)</sub> treated rats at the time of VC ligature or when the thrombus was removed. There was a significant decrease in the weight of thrombus in the animals of the groups treated with the rBbCI-His<sub>(6)</sub> (1.40 mg/kg), with the rBbCI-His<sub>(6)</sub> mixture (1.40 mg/kg) + heparin (50 IU/kg) and heparin (100 IU/kg) in relation to control group (saline). The growth-related oncogene/keratinocyte chemoattractant (GRO/KC) serum levels in rats treated with rBbCI-His<sub>(6)</sub> (1.40 mg/kg) or heparin (200 IU/kg) were reduced. In the experimental model used, rBbCI-His<sub>(6)</sub> alone had an antithrombotic effect, not altering blood clotting or bleeding time.
Gold‐Catalyzed Heterocycle Synthesis Using Homopropargylic Ethers as Latent Electrophiles. (2006)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Mineralocorticoids induce polyuria by reducing apical aquaporin-2 expression of the kidney in partial vasopressin deficiency (2022)

The symptoms of diabetes insipidus may be masked by the concurrence of adrenal insufficiency and emerge after the administration of hydrocortisone, occasionally at high doses. To elucidate the mechanism underlying polyuria induced by the administration of high-dose corticosteroids in the deficiency of arginine vasopressin (AVP), we first examined the secretion of AVP in three patients in whom polyuria was observed only after the administration of high-dose corticosteroids. Next, we examined the effects of dexamethasone or aldosterone on water balance in wild-type and familial neurohypophyseal diabetes insipidus (FNDI) model mice. A hypertonic saline test showed that AVP secretion was partially impaired in all patients. In one patient, there were no apparent changes in AVP secretion before and after the administration of high-dose corticosteroids. In FNDI mice, unlike dexamethasone, the administration of aldosterone increased urine volumes and decreased urine osmolality. Immunohistochemical analyses showed that, after the administration of aldosterone in FNDI mice, aquaporin-2 expression was decreased in the apical membrane and increased in the basolateral membrane in the collecting duct. These changes were not observed in wild-type mice. The present data suggest that treatment with mineralocorticoids induces polyuria by reducing aquaporin-2 expression in the apical membrane of the kidney in partial AVP deficiency.
Correction to “Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators” (2022)

ADVERTISEMENT RETURN TO ISSUEPREVAddition/CorrectionNEXTORIGINAL ARTICLEThis notice is a correctionCorrection to "Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators"Mark MontgomeryMark MontgomeryMore by Mark Montgomery, Stefano RendineStefano RendineMore by Stefano Rendine, Christoph T. ZimmerChristoph T. ZimmerMore by Christoph T. Zimmer, Jan EliasJan EliasMore by Jan Elias, Jürgen SchaetzerJürgen SchaetzerMore by Jürgen Schaetzer, Thomas PitternaThomas PitternaMore by Thomas Pitterna, Fides BenfattiFides BenfattiMore by Fides Benfatti, Marisa SkaljacMarisa SkaljacMore by Marisa Skaljac, and Aurélien Bigot*Aurélien BigotMore by Aurélien Bigothttps://orcid.org/0000-0001-7692-2544Cite this: J. Med. Chem. 2022, 65, 5, 4401–4402Publication Date (Web):February 18, 2022Publication History Published online18 February 2022Published inissue 10 March 2022https://pubs.acs.org/doi/10.1021/acs.jmedchem.2c00215https://doi.org/10.1021/acs.jmedchem.2c00215correctionACS PublicationsCopyright © 2022 American Chemical Society. This publication is available under these Terms of Use. Request reuse permissions This publication is free to access through this site. Learn MoreArticle Views1100Altmetric-Citations1LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail PDF (515 KB) Get e-Alertsclose Get e-Alerts
A toolkit for building continuous media applications (2002)

Multimedia computing has emerged in the last few years as a major area of computer science. However, multimedia programming is very hard since programmers need to take into account many complex facilities such as real-time processing, media synchronization, and dynamic QOS control. Since usual programmers take a long time to understand these facilities, multimedia toolkits that can hide such complex facilities from programmers should be provided for making multimedia programming easier. The toolkit should also provide mechanisms for implementing large continuous media applications. Especially, programmers may expect to reuse existing applications for building their applications quickly. If continuous media applications can be constructed by composing a small number of big modules, programmers can create continuous media applications very quickly. In this paper, we describe a continuous media toolkit that has been developing at Multimedia and Mobile Computing Group at Japan Advanced Institute of Science and Technology. The continuous media toolkit has the following two characteristics. Application programmers do not need to take into account real-time processing, media synchronization, and dynamic QOS control since the continuous media toolkit hides such complexities from programmers. The toolkit provides a scripting language that enables programmers to reuse existing programs. Thus, programmers can create multimedia applications by modifying a small part of existing programs. Our toolkit is implemented on Real-Time Mach Microkernel. Currently, several continuous media applications are created for demonstrating the effectiveness of our toolkit.
Surgical implications of acetabular morphology in cam-type femoroacetabular impingement : a 3D study (2009)

Cam femoroacetabular impingement (FAI) is currently treated by resecting the femoral cam lesion. Some surgeons advocate additional anterosuperior acetabular rim resection. However, the exact acetabular contribution to cam-FAI has yet to be described. Using 3D-CT analysis, we set out to quantify the acetabular rim shape and orientation in this condition, and to determine the roles of these factors in cam-FAI. The acetabula of twenty consecutive cam hips (defined by α-angle of Notzli greater than 55° on plain radiographs) undergoing image based navigated surgery. These were compared with twenty normal hips (defined as disease free sockets with a normal femoral head-neck junction) obtained from a CT colonoscopy database.
Dynamic Mechanical Spectroscopy Using the Autovibron DDV-III-C (1983)

The Autovibron DDV-III-C is a forced vibration unit capable of operating at several constant frequencies for the determination of the dynamic mechanical response of a system. The automation provides a programmed heating rate, continuous sample tensioning, and acquisition and reduction of data. Results obtained at several frequencies are reported for plain poly(vinyl chloride) (PVC), PVC modified with a methacrylate—butadiene—styrene terpolymer (MBS), and a commercially available mineral-reinforced polyamide. While problems have been encountered with sample alignment, tension adjustment, and measurement at low tan δ values, it is concluded that this instrument has good potential for the convenient determination of dynamic spectra of polymers and their composites.
Text classification and named entities for new event detection (2004)

New Event Detection is a challenging task that still offers scope for great improvement after years of effort. In this paper we show how performance on New Event Detection (NED) can be improved by the use of text classification techniques as well as by using named entities in a new way. We explore modifications to the document representation in a vector space-based NED system. We also show that addressing named entities preferentially is useful only in certain situations. A combination of all the above results in a multi-stage NED system that performs much better than baseline single-stage NED systems.
Synthetic Access to Functionalized Dipolarophiles of Lewis Basic Complexant Scaffolds through Sonogashira Cross-Coupling (2018)

Soft Lewis basic complexants that facilitate selective removal of discrete ions resident in spent nuclear fuel can decrease repository volume and radiotoxicity and are of significant interest. Optimization of chelation efficacy is predicated on modular access to synthons to rapidly evaluate structure-activity relationships. The following work highlights efficient access to functionalized synthons for use as potential dipolarophiles in subsequent cycloaddition processes via Sonogashira coupling of 3-(6-bromo-pyridin-2-yl)-[1,2,4]triazine scaffolds. The 41 examples explored during method development evaluated electrophile and nucleophile diversity affording the desired coupled products in 31-96% isolated yield. Method optimization, substrate scope, a scale-up reaction, and downstream product functionalization are reported herein.
Synthesis of .alpha.,.alpha.-dichlorosulfenyl chlorides (1971)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthesis of .alpha.,.alpha.-dichlorosulfenyl chloridesW. Gary Phillips and K. Wayne RattsCite this: J. Org. Chem. 1971, 36, 21, 3145–3149Publication Date (Print):October 1, 1971Publication History Published online1 May 2002Published inissue 1 October 1971https://pubs.acs.org/doi/10.1021/jo00820a016https://doi.org/10.1021/jo00820a016research-articleACS PublicationsRequest reuse permissionsArticle Views106Altmetric-Citations17LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Trace elements in the human endometrium. I. Zinc, copper, manganese, sodium and potassium concentrations at various phases of the normal menstrual cycle. (1970)

The cyclic variations in the content of 5 trace elements in the normal human endometrium were studied by means of neutron activation analysis. The concentrations of zinc, copper, manganese, sodium, and potassium were measured in endometrial biopsy specimens taken from 6 healthy, normally menstruating volunteers from 10 to 32 years of age. 4 specimens were obtained from each during 4 consecutive cycles in the following phases: a) early proliferative (Days 6-10); late proliferative (Days 11-14); c) early secretory (Days 15-18); and d) late secretory Days 22-27). Biopsies were taken with a Novak type suction curette without anesthesia and without dilation of the cervix. Chemical methodology is described. An analysis of variance of the data revealed that in the early proliferative phase the human endometrium is characterized by significantly elevated concentrations of manganese (p greater than .001), sodium (p greater than .01), and potassium (p greater than .001). However, the late secretory endometrium is characterized by a highly significant rise in its zinc concentration (p greater than .001), accompanied by a highly significantly decreased concentration of sodium (p greater than .001) and potassium (p greater than .001). The copper concentration of the secretory endometria was significantly higher than that of the proliferative endometria (p greater than .001). The significance of the findings was the same whether values were expressed per g protein or per g wet tissue. It is suggested that the high concentrations of zinc and copper associated with low levels of manganese, sodium, and potassium at the expected time of implantation may be a reflection of changes in endometrial enzyme activities. Investigations are in progress to explore this possibility.
A Trace-Driven Analysis of Caching in Content-Centric Networks (2012)

A content-centric network is one which supports host-to-content routing, rather than the host-to-host routing of the existing Internet. This paper investigates the potential of caching data at the router-level in content-centric networks. To achieve this, two measurement sets are combined to gain an understanding of the potential caching benefits of deploying content-centric protocols over the current Internet topology. The first set of measurements is a study of the BitTorrent network, which provides detailed traces of content request patterns. This is then combined with CAIDA's ITDK Internet traces to replay the content requests over a real-world topology. Using this data, simulations are performed to measure how effective content-centric networking would have been if it were available to these consumers/providers. We find that larger cache sizes (10,000 packets) can create significant reductions in packet path lengths. On average, 2.02 hops are saved through caching (a 20% reduction), whilst also allowing 11% of data requests to be maintained within the requester's AS. Importantly, we also show that these benefits extend significantly beyond that of edge caching by allowing transit ASes to also reduce traffic.