gebhart/patrepeval huggingface dataset:
Effect of structural modifications in the C7-C11 region of the retinoid skeleton on biological activity in a series of aromatic retinoids (1989)

A series of conformationally restricted analogues of (E)-4-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)propenyl ] benzoic acid--(E)-4-[1-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-2 - propenyl]benzoic acid, (E)-4-[3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-2-bu ten- 2-yl]benzoic acid, trans-4-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl) cyclopropyl]benzoic acid, 4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)benzoic acid, 6-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-2- naphthalenecarboxylic acid, 6-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-2- naphthalenecarboxylic acid and 6-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-5-methyl-2- naphthalenecarboxylic acid--were synthesized and screened for retinoid biological activity. Comparison of the conformers of these analogues generated by molecular mechanics calculations with the biological activity profiles of these compounds indicates that geometric constraints required for high biological activity are imposed on the bridge joining the two aromatic ring systems by the retinoid receptor.
Preformed antifungal compounds of lemon fruit: citral and its relation to disease resistance. (1995)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPreformed antifungal compounds of lemon fruit: citral and its relation to disease resistance.Victor Rodov, Shimshon Ben-Yehoshua, De Qiu Fang, Jong Jin Kim, and Rina AshkenaziCite this: J. Agric. Food Chem. 1995, 43, 4, 1057–1061Publication Date (Print):April 1, 1995Publication History Published online1 May 2002Published inissue 1 April 1995https://doi.org/10.1021/jf00052a039RIGHTS & PERMISSIONSArticle Views496Altmetric-Citations83LEARN 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 InReddit PDF (2 MB) Get e-Alerts Get e-Alerts
Rapamycin induces regression of endometriotic lesions by inhibiting neovascularization and cell proliferation (2006)

Our data indicate that administration of rapamycin may represent a novel therapeutic approach for an antiangiogenic treatment of endometriosis.
Abstract 44: Characterization and targeting of a temporal micro-metastatic signature in human brain metastases (2018)

Abstract Metastases to the brain (BM) are the most common neoplasms to affect the adult central nervous system, arising in 40% of cancer patients and at a rate 10 times greater than primary brain tumors. Despite the prevalence and poor survival rates, therapeutic strategies for BM remain limited, and a substantial cause is the lack of proper preclinical models available to interrogate the intricacies of BM development. Previous work in our lab utilized BM samples from patient-derived lung-to-brain metastases to successfully establish clinically relevant in vivo models of BM. Here we further characterized the cells responsible for BM, termed brain metastasis initiation cells (BMIC). Patient-derived BMICs were injected via intracranial (BT), intracardiac (IC) and intrathoracic (IT) routes into NOD/SCID mice and re-isolated at different stages of metastatic progression. We isolated cells from primary lung tumors (LT), cells injected via intra-thoracic route that crossed the blood brain barrier to seed the brain forming micro-metastases (BMIT), and cells injected via intracardiac route that seeded large macro-metastases (BMIC). Through RNA sequencing we determined cells from BMIT (micro-metastasis stage) to retain a vastly different genetic profile compared to BMICs isolated at other stages of metastasis. Several of these genes belonged to pathways implicated in autonomic central nervous system neoplasms and neural development. Through connectivity mapping of BMIT profiles we discovered drugs that could inhibit the micro-metatsasis signature, and further in vitro validation revealed apomorphine to reduce BMIC sphere formation and proliferation. In vivo treatment with apomorphine blocked both micro- and macro-metastatic stages of our BMIC model. Of 5 BMIT genes identified to be specifically targeted by apomorphine, KIF16B, TESK2 and SEPW1 were shown to have significant value when applied as an independent prognostic signature in a cohort of lung adenocarcinoma patients. Future work will further validate the efficacy of apomorphine in targeting BMICs in primary lung cancer patient samples. With this work we present a possible new avenue for therapeutic targeting toward the prevention of BM development, where it is anticipated to transform a uniformly fatal disease into one that is eminently more treatable. Citation Format: Mohini Singh, Chitra Venugopal, Tomas Tokar, Nicole McFarlane, Minomi Subhapanditha, David Bakhshinyan, Maleeha Qazi, Parvez Vora, Neil Savage, Naresh K. Murty, Igor Jurisica, Sheila K. Singh. Characterization and targeting of a temporal micro-metastatic signature in human brain metastases [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2018; 2018 Apr 14-18; Chicago, IL. Philadelphia (PA): AACR; Cancer Res 2018;78(13 Suppl):Abstract nr 44.
Pharmacodynamics of a liposomal preparation for local anaesthesia. (1995)

A phospholipid containing formulation with tetracaine (CAS 94-24-6) for topical anaesthesia was developed. In vitro drug liberation as well as in vivo efficacy and duration of the anaesthetic effect were investigated. The in vitro liberation constant was 0-.626 +/- 0.005 mg/(cm2.square root of h for a liposomal gel formulation containing 2% (m/l) tetracaine. The gel showed high efficacy in anaesthetizing the skin after topical application. After 60 min of application complete anaesthesia of the skin was observed with all volunteers. The duration of anaesthesia after removing the application system was 150 min on average. The determination of the in vivo penetration rate resulted in values between 0.010 and 0.015 mumol/min.cm2 tetracaine.
The House of the Three Caskets (2006)

Abstract This chapter discusses how the quality of Shylock's presence in The Merchant of Venice depends on Belmont's being a place that excludes him, a place where he is indeed scarcely mentioned, and then never by name. Shylock's money funds Bassanio's voyage to Belmont in quest for his bride, and it is from Belmont in turn that Portia journeys to Venice to save Antonio. Shakespeare's Belmont has something about it at once dangerous and vaguely tacky. It's as if it housed brilliant children who toy with a nuclear reactor, or who forget that their imaginary palace is built of rags, bits of wood and paint, and plaster, everything found by accident, by chance, put together like a stage set.
Profile-directed optimization of event-based programs (2002)

Events are used as a fundamental abstraction in programs ranging from graphical user interfaces (GUIs) to systems for building customized network protocols. While providing a flexible structuring and execution paradigm, events have the potentially serious drawback of extra execution overhead due to the indirection between modules that raise events and those that handle them. This paper describes an approach to addressing this issue using static optimization techniques. This approach, which exploits the underlying predictability often exhibited by event-based programs, is based on first profiling the program to identify commonly occurring event sequences. A variety of techniques that use the resulting profile information are then applied to the program to reduce the overheads associated with such mechanisms as indirect function calls and argument marshaling. In addition to describing the overall approach, experimental results are given that demonstrate the effectiveness of the techniques. These results are from event-based programs written for X Windows, a system for building GUIs, and Cactus, a system for constructing highly configurable distributed services and network protocols.
Quinoid‐Aromatic Resonance for Very Small Optical Energy Gaps in Small‐Molecule Organic Semiconductors: A Naphthodithiophenedione‐oligothiophene Triad System (2021)

Organic semiconductors with very small optical energy gaps have attracted a lot of attention for near-infrared-active optoelectronic applications. Herein, we present a series of donor-acceptor-donor (D-A-D) organic semiconductors consisting of a highly electron-deficient naphtho[1,2-b:5,6-b']dithiophene-2,7-dione quinoidal acceptor and oligothiophene donors that show very small optical energy gaps of down to 0.72 eV in the solid state. Investigation of the physicochemical properties of the D-A-D molecules as well as theoretical calculations of their electronic structures revealed an efficient intramolecular interaction between the quinoidal acceptor and the aromatic oligothiophene donors in the D-A-D molecules; this significantly enhances the backbone resonance and thus reduces the bond length alternation along the π-conjugated backbones. Despite the very small optical energy gaps, the D-A-D molecules have low-lying frontier orbital energy levels that give rise to air-stable ambipolar carrier transport properties with hole and electron mobilities of up to 0.026 and 0.043 cm<sup>2</sup> V<sup>-1</sup> s<sup>-1</sup> , respectively, in field-effect transistors.
Preparation of Graft Adsorbent Having Amine Groups and Its Au(III) Adsorption Performance (2007)

Metal adsorbent was prepared by co-graft polymerization of allylamine and methacrylic acid (or N-vinylacetamide) onto nonwoven fabrics made of polyethylene-coated polypropylene fiber using radiation induced graft polymerization method. Behavior of the resulting adsorbents in uptake of Au (III) was evaluated by both batch and columnar methods. In the column test, the breakthrough of Au (III) was evaluated with three different flow rates of 260, 520 and 1040 h-1 in space velocity (SV) by pumping 1mM Au (III) solution into the column at pH 3. Breakthrough points of three flow rates were 163, 150 and 144 bed volumes (BV), respectively. Furthermore, the breakthrough of Au (III) was evaluated at pH range from 1 to 7 by pumping 100 ppb Au (III) solution into the column in the SV of 4680 h-1. The breakthrough point was 175 BV at the pH 1 and 2, and went up to 179 BV at pH 3.
Signal-dependent film grain noise removal and generation based on higher-order statistics (2002)

In this paper, we propose a new noise filtering scheme that is based on higher-order statistics (HOS) for photographic images corrupted by signal-dependent film grain noise. In addition, reliable estimation of the noise parameter using HOS is proposed. This parameter estimation technique can be used to generate film grain noise which has applications in motion picture and television productions. Simulation results show that the proposed filter perform better than existing methods which are based on second-order statistics.
Fine grained object protection in UNIX (1993)

In this document we describe and discuss a solution, called UNIX Access Table Protection (UATP), to the problem of providing a secure environment for persistent object types with fine grained protection on a UNIX system. UATP requires no modifications to the UNIX kernel. User's on UNIX have discretionary access control over their directories and files. By using these controls in a particular way, this paper shows a way in which a hierarchy of protection domains can be set up to enable object methods and type instances to be managed securely and to be protected from unauthorised use. The document also describes how a particular object type, a UATP-kernel, which executes in these protection domains (in the same way as all other objects) can be used to provide fine grained protection for all other objects which are installed and running in the manner described here.
Ultra-high Thermal Conductivity of Spider Silk: Protein Function Study with Controlled Structure Change and Comparison (2016)

Abstract : In the past three years, we have conducted extensive research to study the structure of spider silks and investigate how the structure affects the silks thermal transport. The comparison of thermal conductivity (k) and structural information between the naturally spun and manually spun spider silks demonstrates that the alignment of the antiparallel beta-sheet crystals in spider silks plays one of the most important roles in improving thermal transport. Various structural manipulations have been introduced by casting the silk protein into different shapes, varying the speed of manual silk spinning, using different silks from the same spider and silks from different types of spiders. The thin width of silks has been proved to significantly improve k. The silks from the spiders in unhealthy conditions also showed a higher k. Rough structures would enhance phonon scattering and thus lower k. A small range of the variation of the spinning rate in producing spider silks would not obviously increase k, when no significant shape change is induced. The organic solvent in silver paste involved in our experiment has little effect in decreasing k. On the other hand, to go deeper into the nanoscale nature of the structure of spider silks, X-ray diffraction (XRD) has been employed to study the crystallite size of spider silks. Also a lab-developed thermal reffusivity theory has been employed to study thermal properties of spider silks at low temperatures down to 10 K. The crystallite size obtained through XRD and mean free path of the defect-induced phonon scattering are nicely consistent with each other.
Top and Bottom Ta2O5 Topographical Selective Deposition on 3D structures by Plasma Enhanced Atomic Layer Deposition (2020)

International audience
Acquiring human skeleton proportions from monocular images without posture estimation (2008)

In this paper we propose a method for estimating human skeleton proportions automatically from two-dimensional (2D) joint locations extracted from a monocular video. Unlike many other methods where the three-dimensional (3D) human postures are pre-known or posture estimations are required, the proposed method does not require correct posture recoveries for the purpose of acquiring the human skeleton model. With a calibrated camera, the proposed system is able to determining the depth of a reference joint for each frame. A human skeleton model is then constructed progressively from that joint and is able to be reprojected to the extracted 2D joint locations under the calibrated camera. The proposed system has been applied to both synthetic and real data and produced highly satisfactory results.
Stereoselective Alkylations in Rigid Systems. Effect of Remote Substituents on π-Facial Additions to Lactam Enolates. Stereoelectronic and Steric Effects (1998)

A series of chiral bicyclic lactams has been studied by both experiment and ab initio molecular orbital calculations. The facial selectivity of the alkylation of their enolates shows a high degree of endo or exo entry, depending upon certain substituents and their positions in the lactams. The suggested reasons for the exo or endo selectivity for alkylation were determined to be purely electronic or purely steric in certain instances. The results of the selectivity study now allow the asymmetric synthesis of various ketones, acids, and pyrrolidines in either enantiomeric form based on the choice of lactam employed.
Synthesis and Bioactivity Evaluation of Dipeptidyl Peptidase IV Resistant Glucagon-like Peptide-1 Analogues (2010)

Glucagon-like peptide -1 (GLP-1) is an incretin hormone displaying glucose-dependent stimulation of insulin secretion and trophic effects on the pancreatic β-cells. However, GLP-1 is rapidly degraded to GLP-1(9-36) by dipeptidyl peptidase-IV (DPP-IV), which removes the N-terminal dipeptide His(7)-Ala(8). The rapid inactivation of GLP-1 in the blood circulation limits its clinical application. Hence, we replaced the enzymatic hydrolyzation position Ala(8) with other natural amino acids. The GLP-1 analogues were synthesized rapidly and efficiently under microwave irradiation, using Fmoc/tBu orthogonal protection strategy. Studies on blood-glucose-lowering effect of GLP-1 analogues in vivo were undertaken using 10-week-old male Kunming mice. The metabolic stability was tested by incubation with dipeptidyl peptidase-IV (DPP-IV). Generally, Xaa(8)-GLP-1 analogues exhibit resistance to DPP-IV degradation in vitro and stronger hypoglycemic effect than GLP-1. This may help to understand the structure-activity relationship of GLP-1 analogues.
Physiologically‐Based Pharmacokinetic Modeling Characterizes the CYP3A‐Mediated Drug‐Drug Interaction Between Fluconazole and Sildenafil in Infants (2020)

Physiologically-based pharmacokinetic (PBPK) modeling can potentially predict pediatric drug-drug interactions (DDIs) when clinical DDI data are limited. In infants for whom treatment of pulmonary hypertension and prevention or treatment of invasive candidiasis are indicated, sildenafil with fluconazole may be given concurrently. To account for developmental changes in cytochrome P450 (CYP) 3A, we determined and incorporated fluconazole inhibition constants (K<sub>I</sub> ) for CYP3A4, CYP3A5, and CYP3A7 into a PBPK model developed for sildenafil and its active metabolite, N-desmethylsildenafil. Pharmacokinetic (PK) data in preterm infants receiving sildenafil with and without fluconazole were used for model development and evaluation. The simulated PK parameters were comparable to observed values. Following fluconazole co-administration, differences in the fold change for simulated steady-state area under the plasma concentration vs. time curve from 0 to 24 hours (AUC<sub>ss,0-24</sub> ) were observed between virtual adults and infants (2.11-fold vs. 2.82-fold change). When given in combination with treatment doses of fluconazole (12 mg/kg i.v. daily), reducing the sildenafil dose by ~ 60% resulted in a geometric mean ratio of 1.01 for simulated AUC<sub>ss,0-24</sub> relative to virtual infants receiving sildenafil alone. This study highlights the feasibility of PBPK modeling to predict DDIs in infants and the need to include CYP3A7 parameters.
Photopatterned Thiol Surfaces for Biomolecule Immobilization (2009)

The ability to pattern small molecules and proteins on artificial surfaces is of importance for the development of new tools including tissue engineering, cell-based drug screening, and cell-based sensors. We describe here a novel "caged" thiol-mediated strategy for the fabrication of planar substrates patterned with biomolecules using photolithography. A thiol-bearing phosphoramidite (3-(2'-nitrobenzyl)thiopropyl (NBTP) phosphoramidite) was synthesized and coupled to a hydroxyl-terminated amorphous carbon substrate. A biocompatible oligo(ethylene glycol) spacer was used to resist nonspecific adsorption of protein and DNA and enhance flexibility of attached biomolecules. Thiol functionalities are revealed by UV irradiation of NBTP-modified surfaces. Both the surface coupling and photodeprotection were monitored by Polarization Modulation Fourier Transform Infrared Reflection Absorption Spectroscopy (PM-FTIRRAS) and X-ray Photoelectron Spectroscopy (XPS) measurements. The newly exposed thiols are chemically very active and react readily with a wide variety of groups. A series of molecules including biotin, DNA, and proteins were attached to the surfaces with retention of their biological activities, demonstrating the utility and generality of the approach.
Grid-enabling orbital analysis and computationally intensive applications for a growing set of diversified users (2008)

The advent of affordable high performance computing (HPC) resources, such as computing clusters and grids, has transformed the computational capabilities of many organizations. However, the lack of convenient interfaces to such valuable resources limits their effectiveness, restricting their user base to a small set of highly skilled programmers and computer scientists. Without such an interface, domain specialists lacking exceptional knowledge of HPC systems are challenged in their ability to utilize these computing grids. This paper describes the design and implementation of a Web-based user interface aimed at increasing the usability and transparency of a 341-node computing cluster to multiple applications and user communities, by developing a streamlined Web interface. In discussion of the design, we address several common concerns including security, extensibility, and maintainability. We also outline two distinct solutions to this problem: our earliest approach using open-source grid computing tools such as the Globus Toolkit and Gridportlets, and our most current implementation, which uses a prototype Python-based Web application developed as a part of this paper. We then assess our experience with both approaches and conceptually evaluate them based on the common concerns mentioned above. Finally, we argue that, despite the flexibility afforded by the industrial-strength grid tools, a simpler, home-grown approach similar to our Python-based prototype is most effective in terms of time and maintainability for enterprises seeking to develop similar Web-based front ends for their computing resources. We conclude that our approach provides better value to a set of users as it increases in both number and diversity.
Two Approaches to Interdisciplinary Computing+Music Courses (2011)

The developers of a university curriculum designed to bridge the gaps between the two disciplines have found that there are numerous ways to introduce arts majors to computing, and science and engineering majors to the arts.
Biodegradable Intrascleral Implant of Triamcinolone Acetonide in Experimental Uveitis (2009)

The biodegradable intrascleral TA implant was found to be effective at suppressing the inflammation induced by experimental uveitis in rabbits for at least 4 weeks.
지체부자유 학생 근 위축 증후의 양상 및 대처 자원 연구 (2005)

본 연구는 문자 해독 곤란 아동의 인지처리 특성을 밝히고 청각적 순차처리 곤란 아동의 음운 인식 프로그램을 개발하고자 실시되었다. 본 연구의 대상은 초등학교 2-4학년 문자 해독 곤란 아동 40명이었다. 본 연구의 결과는 다음과 같다. 첫째, 문자 해독 곤란 아동의 순차처리척도(손동작, 수회생, 단어배열)(K-ABC)의 표준 점수와 습득도(문자해독, 문장이해)의 표준 점수 간에는 상관관계가 높으며 특히 청각적 순차처리 영역인 수회생, 단어 배열과 밀접한 관련이 있는 것으로 나타났다. 둘째, 청각적 순차처리 곤란 아동의 음운 인식 능력 개선 프로그램은 문자 해독 곤란 아동의 음운 인식능력을 개선시켜 문자 해독 능력을 향상에 효과적인 것으로 나타났다.