gebhart/patrepeval huggingface dataset:
2P2Idb: a structural database dedicated to orthosteric modulation of protein–protein interactions (2012)

Protein-protein interactions are considered as one of the next generation of therapeutic targets. Specific tools thus need to be developed to tackle this challenging chemical space. In an effort to derive some common principles from recent successes, we have built 2P2Idb (freely accessible at http://2p2idb.cnrs-mrs.fr), a hand-curated structural database dedicated to protein-protein interactions with known orthosteric modulators. It includes all interactions for which both the protein-protein and protein-ligand complexes have been structurally characterized. A web server provides links to related sites of interest, binding affinity data, pre-calculated structural information about protein-protein interfaces and 3D interactive views through java applets. Comparison of interfaces in 2P2Idb to those of representative datasets of heterodimeric complexes has led to the identification of geometrical parameters and residue properties to assess the druggability of protein-protein complexes. A tool is proposed to calculate a series of biophysical and geometrical parameters that characterize protein-protein interfaces. A large range of descriptors are computed including, buried accessible surface area, gap volume, non-bonded contacts, hydrogen-bonds, atom and residue composition, number of segments and secondary structure contribution. All together the 2P2I database represents a structural source of information for scientists from academic institutions or pharmaceutical industries.
Catalytic Asymmetric Synthesis of Cyclopentyl β‐Amino Esters by [3+2] Cycloaddition of Enecarbamates with Electrophilic Metalloenolcarbene Intermediates (2016)

Chiral cyclopentyl β-amino esters are formed catalytically by [3+2] cycloaddition reactions of enecarbamates with electrophilic metalloenolcarbenes in high yield with up to 98 % ee and excellent diastereocontrol. Use of β-silyl-substituted enoldiazoacetates with a chiral dirhodium catalyst and trans-β-arylvinylcarbamates are optimal for this transformation, which occurs with hydrogen-bond association between the vinylcarbamate and the intermediate metalloenolcarbene. Reductive conversion of the protected amino esters forms highly functionalized cyclopentyl β-amino acids and 3-aminocyclopentanones.
Differentiation of type 1 T regulatory cells (Tr1) by tolerogenic DC-10 requires the IL-10–dependent ILT4/HLA-G pathway (2010)

Type 1 T regulatory (Tr1) cells suppress immune responses in vivo and in vitro and play a key role in maintaining tolerance to self- and non-self-antigens. Interleukin-10 (IL-10) is the crucial driving factor for Tr1 cell differentiation, but the molecular mechanisms underlying this induction remain unknown. We identified and characterized a subset of IL-10-producing human dendritic cells (DCs), termed DC-10, which are present in vivo and can be induced in vitro in the presence of IL-10. DC-10 are CD14(+), CD16(+), CD11c(+), CD11b(+), HLA-DR(+), CD83(+), CD1a(-), CD1c(-), express the Ig-like transcripts (ILTs) ILT2, ILT3, ILT4, and HLA-G antigen, display high levels of CD40 and CD86, and up-regulate CD80 after differentiation in vitro. DC-10 isolated from peripheral blood or generated in vitro are potent inducers of antigen-specific IL-10-producing Tr1 cells. Induction of Tr1 cells by DC-10 is IL-10-dependent and requires the ILT4/HLA-G signaling pathway. Our data indicate that DC-10 represents a novel subset of tolerogenic DCs, which secrete high levels of IL-10, express ILT4 and HLA-G, and have the specific function to induce Tr1 cells.
Enzymatic development of lipoaminoacids towards nanostructured delivery systems (2018)

Tese de mestrado, Ciências Biofarmacêuticas, Universidade de Lisboa, Faculdade de Farmácia, 2018
A fully integrated DC to 75 MHz current sensing circuit with on-chip Rogowski coil (2018)

A wide-bandwidth galvanically isolated current sensing circuit with an integrated Rogowski coil in 180 nm CMOS is presented. Exploiting the high-frequency properties of an optimized on-chip Rogowski coil, currents can be measured up to a bandwidth of 75 MHz. The analog sensor front-end comprises a two-stage integrator, which allows a chopper frequency below signal bandwidth, resulting in 2.2mVrms output noise. An additional integrated Hall sensor extends the measurement range towards DC.
[Genetic diversity of Sabina vulgaris populations at different succession stages]. (2006)

By means of random amplified polymorphic DNA markers, a molecular ecological study was made with Sabina vulgaris populations at 4 succession stages in Maowusu sandy grassland, aimed to reveal the relationships between molecular variation and succession stages. A total of 17 random primers were selected for amplification, and 190 repetitive loci were produced, of which, 173 were polymorphic. The data were analyzed by POPGENE 3. 2 Version 1. 31. The results showed that the genetic diversity of S. vulgaris populations was high, and changed with succession stages. The percentage of polymorphic loci in each S. vulgaris population ranged from 64.21% to 74.63%, with the highest in early succession stage Artemisia ordosica + S. vulgaris on semi-fixed sand dunes, and the lowest in sub-climax stage S. vulgaris on fixed dunes. The genetic differentiation among the populations was small (G(st) = 0.1761), and 82.39% of it was within the populations. Cluster analysis demonstrated that the populations at similar succession stage clustered together, suggesting that the genetic differentiation was closely related to succession stage. The genetic diversity indicated by Nei index ranged in 0. 2163 -0. 2564, and the gene flow (N(m) *) was 2.7972, indicating that more gene exchange occurred within the populations, which prevented the genetic differentiation among the populations at different succession stages.
Improvement of Left Ventricular Dysfunction During Exercise by Walking in Patients With Successful Percutaneous Coronary Intervention for Acute Myocardial Infarction. (2003)

A growing body of evidence suggests that walking reduces the incidence of coronary events, so the present study investigated whether walking influences left ventricular function in 30 patients with acute myocardial infarction (AMI) who had undergone successful percutaneous coronary intervention (PCI). The patients were randomly assigned to either a 3-month exercise training program of walking (group W, n=15) or a control group (group C, n=15). At both the beginning and end of the study, patients underwent exercise stress echocardiography to determine left ventricular ejection fraction (LVEF) at rest and during exercise. At baseline, there was no difference in LVEF at rest or during exercise between the two groups. After 3 months, LVEF during exercise was significantly improved compared with at rest in group W (61+/-3% during exercise vs 57+/-5% at rest, p<0.01), whereas no difference was observed between the LVEF at rest and that during exercise in group C (54+/-5% at rest vs 52+/-7% during exercise, NS). Walking may be beneficial for improving left ventricular function during exercise in patients with AMI.
3-Nitrocoumarins as Dienophiles in the Diels−Alder Reaction in Water. An Approach to the Synthesis of Nitrotetrahydrobenzo[<i>c</i>]chromenones and Dihydrodibenzo[<i>b</i>,<i>d</i>]furans (2003)

The [4 + 2] cycloadditions of 3-nitrocoumarin (1a), 6-chloro-3-nitrocoumarin (1b), and 6-, 7-, and 8-hydroxy-3-nitrocoumarins (1c, 5, and 6) with (E)-piperylene (7), isoprene (8), 2,3-dimethyl-1,3-butadiene (9), 2-methoxy-1,3-butadiene (10), 2,3-dimethoxy-1,3-butadiene (11), and cyclopentadiene (12) were investigated in aqueous medium, in organic solvent and under solventless conditions. The reactions performed in water occurred in heterogeneous phase but were faster than those executed in toluene or dichloroethane (DCE). 1a-c, 5, and 6 behaved as 2pi components in the Diels-Alder cycloadditions with 7-10 and 12, and exo adducts were preferentially or exclusively produced. Surprisingly 1a, behaved as a 4pi component in the cycloaddition in water with 11 and 4-substituted 3-nitrochromanones 20 and 21 were isolated. The cycloadditions of hydroxy-3-nitrocoumarins 1c, 5, and 6 with 1,3-diene 9 did not work in water or in organic solvent, but did work under solventless conditions. Nitrotetrahydrobenzo[c]chromenones 13-16, 24, and 25, originating from the normal electron-demand Diels-Alder reactions, were converted into dihydrodibenzo[b,d]furans 27-31 in water, via one-pot Nef-cyclodehydration reactions.
A Facile Synthesis of SAPO-34 Molecular Sieves with Microwave Irradiation in Wide Reaction Conditions (2011)

Various reaction conditions uding temperature, time and type and concentration of templates have been changed in order to facilely synthesize, especially with microwave (MW) heating, SAPO-34 molecular sieves. SAPO-34 molecular sieve can be synthesized rapidly with microwave irradiation from a gel containing tetraethylammonium hydroxide (TEAOH) as a template. However, other several templating molecules lead to SAPO-5 molecular sieve under microwave irradiation even though SAPO-34 is obtained by conventional electric synthesis from the same reactant gels. Moreover, SAPO-34 can be obtained more easily by increasing the TEAOH or silica concentration or by increasing the reaction temperature. SAPO-34 can be obtained within 5 min in a selected condition (high temperature of 210 <TEX>$^{\circ}C$</TEX>) with microwave heating, which may lead to a continuous production of the important material. SAPO-34 synthesized by microwave irradiation is homogeneous and small in size and shows acidity and a stable performance in the dehydration of methanol and 2-butanol to olefins, suggesting potential applications in acid catalysis.
Will Dolly Send in the Clones? (1997)

Dolly, the lamb cloned from an udder cell of an adult ewe, has sparked an intense debate about the prospect of human cloning. But researchers say it's still unclear how practical cloning of animals, let alone humans, will be. The procedure so far is inefficient; the group that created Dolly made 277 previous attempts. And no one yet knows whether the cloning procedure, which involves transferring nuclei from adult cells into eggs whose own nuclei have been removed, will work with other species.
Improving Purchasing Productivity at IBM with a Normative Decision Support System (1985)

A computerized vendor selection system was implemented for the purchasing department of IBM's Poughkeepsie manufacturing facility. The system, called the Vendor Selection System (VSS), employs advanced mixed integer optimization techniques within a flexible but structured environment to help purchasing personnel to make better contract decisions. They can use the VSS without prior training in computer science or programming and achieve significant savings.
Secure Binary Image Steganography Based on Minimizing the Distortion on the Texture (2014)

Most state-of-the-art binary image steganographic techniques only consider the flipping distortion according to the human visual system, which will be not secure when they are attacked by steganalyzers. In this paper, a binary image steganographic scheme that aims to minimize the embedding distortion on the texture is presented. We extract the complement, rotation, and mirroring-invariant local texture patterns (crmiLTPs) from the binary image first. The weighted sum of crmiLTP changes when flipping one pixel is then employed to measure the flipping distortion corresponding to that pixel. By testing on both simple binary images and the constructed image data set, we show that the proposed measurement can well describe the distortions on both visual quality and statistics. Based on the proposed measurement, a practical steganographic scheme is developed. The steganographic scheme generates the cover vector by dividing the scrambled image into superpixels. Thereafter, the syndrome-trellis code is employed to minimize the designed embedding distortion. Experimental results have demonstrated that the proposed steganographic scheme can achieve statistical security without degrading the image quality or the embedding capacity.
Interventions for the management of dry mouth: non-systemic therapies (2011)

This is a protocol for a Cochrane Review (Intervention). The objectives are as follows: To identify effective non‐systemic therapies for the relief of dry mouth. This review will include both saliva substitutes applied to the oral mucosa as liquids, gels or sprays and saliva stimulants such as lozenges, chewing gum or toothpastes. We will also include techniques designed to stimulate saliva production such as acupuncture and electrostimulation.
Tilt Servo using a Liquid Crystal Device (1996)

Adaptive optics systems have been studied extensively in recent years. In this field a phase shift modulator is used and it was found to be useful for the image enhancement, beam shaping, image processing, etc. 1) 2)
Binary Variational Filtering for Target Tracking in Sensor Networks (2007)

Target tracking in wireless sensor networks (WSN) has brought up new practical problems. The limited energy supply and bandwidth of WSN have put stringent constraints on the complexity and inter-node information exchange of the tracking algorithm. In this paper, we propose a binary variational algorithm outperforming existing target tracking algorithms such as Kalman and Particle filtering. The variational formulation allows an implicit compression of the exchanged statistics between leader nodes, enabling thus a distributed decision-making. Its binary extension further reduces the resource consumption by locally exchanging only few bits.
Zirconium-Catalyzed Enantioselective Alkylalumination of Monosubstituted Alkenes Proceeding via Noncyclic Mechanism (1996)

ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTZirconium-Catalyzed Enantioselective Alkylalumination of Monosubstituted Alkenes Proceeding via Noncyclic MechanismDenis Y. Kondakov and Ei-ichi NegishiView Author Information Department of Chemistry, Purdue University West Lafayette, Indiana 47907 Cite this: J. Am. Chem. Soc. 1996, 118, 6, 1577–1578Publication Date (Web):February 14, 1996Publication History Received31 October 1995Published online14 February 1996Published inissue 1 January 1996https://pubs.acs.org/doi/10.1021/ja953655mhttps://doi.org/10.1021/ja953655mrapid-communicationACS PublicationsCopyright © 1996 American Chemical SocietyRequest reuse permissionsArticle Views1538Altmetric-Citations173LEARN 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-AlertscloseSupporting Info (2)»Supporting Information Supporting Information SUBJECTS:Hydrocarbons,Oxidation,Oxidation reactions,Solvents Get e-Alerts
Simple Synthesis of Hierarchically Ordered Mesocellular Mesoporous Silica Materials Hosting Crosslinked Enzyme Aggregates (2005)

Hierarchically ordered mesocellular mesoporous silica materials (HMMS) were synthesized using a single structure-directing agent. The mesocellular pores are synthesized without adding any pore expander; the pore walls are composed of SBA-15 type mesopores. Small-angle X-ray scattering revealed the presence of uniform pore structures with two different sizes. Using HMMS as a nanoscopic template, hierarchically ordered mesocellular mesoporous carbon (HMMC) and polymer (HMMP) materials were synthesized. HMMS was used as a host for enzyme immobilization. To improve the retention of enzymes in HMMS, we adsorbed enzymes, and then employed crosslinking using glutaraldehyde (GA). The resulting crosslinked enzyme aggregates (CLEAs) show an impressive stability with extremely high enzyme loadings. For example, 0.5 g alpha-chymotrypsin (CT) could be loaded in 1 g of silica with no activity decrease observed with rigorous shaking over one month. In contrast, adsorbed CT without GA treatment resulted in a lower loading, which further decreased due to continuous leaching of adsorbed CT under shaking. The activity of crosslinked CT aggregates in HMMS was approximately 10 times higher than that of the adsorbed CT, which represents a 74-fold increase in activity per unit weight of HMMS due to higher CT loading.
A 64 element broad band volumetric array antenna (2002)

We present experimental results obtained from a 64 element volumetric array designed for broad band frequency operation. The experimental volumetric array consists of 64 elements arranged in spherical volume of radius 200 mm. Each element is a 7 segment log periodic dipole array designed to provide wide band operation over the frequency range of 6 GHz to 16 GHz. The elements are fed via semi-rigid coaxial cable supported in a stainless steel tubing for extra rigidity. The current array is configured to provide optimum scan performance in the H-plane as, in this orientation, the coaxial feeds are orthogonal to the radiated E-field. At present the 64 element volumetric array demonstrator has no beam forming network and therefore the array scan performance can not be measured directly. However, the main beam characteristics may be synthesised from a knowledge of the measured embedded element patterns. This approach allows accurate predictions of the array performance that include the effects of inter-element coupling.
Pharmacotherapy of sexual dysfunctions : current status. (2004)

The sexual dysfunctions are one of the most prevalent conditions. Sexual dysfunctions can have profound effect on the psychological well-being of an individual and the psychosexual relationship of a couple. Management of the sexual dysfunction should be preceded by an accurate diagnosis reached after a complete medical and sexual history and physical examination. Current focus of researchers has been on understanding the pathophysiology of erectile dysfunction, premature ejaculation and other sexual dysfunctions that can help in developing newer pharmacological cures for these conditions.Recently, a number of clinical trials have studied the potential effectiveness of the phosphodiesterase (PDE)-5 inhibitor sildenafil in the treatment of Erectile Dysfunction (ED) and Premature Ejaculation (PME). The introduction of PDE-5 inhibitors like sildenafil, vardenafil and tadalafil has revolutionized the treatment of sexual dysfunctions.This review focuses on the recent pharmacological advances in the treatment of common sexual dysfunctions like ED and PME with special focus on the role of PDE-5 inhibitors. Also discussed is the pharmacological treatment of other less prevalent and recognized disorders like female sexual dysfunction, drug induced sexual dysfunction etc.
Dapsone maculopathy (1997)

After the injection of about 10 gm of dapsone, a 38-year-old male showed a whitish-yellow patch in the macular region of both eyes, with decreased visual acuity of the counting finger in the right and 0.04 in the left eye. Two weeks after the start of systemic steroid therapy the patch disappeared, and on follow-up at 11 months, visual acuity was 0.02 in the right and 0.08 in the left eye, with macular degeneration and foveal nonperfusion. This retinal damage seems to be ischemic in origin and to be caused by a combination of acute severe peripheral hypoxemia and the vascular obstructive effect of red cell fragmentation resulting from massive hemolysis.
Aduncamide, a Cytotoxic and Antibacterial b-Phenylethylamine-Derived Amide from<i>Piper aduncum</i> (1993)

Abstract Bioactivity-guided fractionation of a methylene chloride extract from the leaves of Piper aduncum afforded a new amide, aduncamide. In addition, the light petrol extract yielded the sesquiterpenes viridiflorol, cubebol, spathulenol and caryophyllenol-II. For cubebol the 13C-NMR data are fully assigned. Aduncamide displayed antibacterial and cytotoxic activities.
ChemInform Abstract: BENZOLACTAMS. I. ALKYLATION OF 1,2,4,5‐TETRAHYDRO‐3‐METHYL‐3H‐3‐BENZAZEPIN‐2‐ONE WITH SODIUM HYDRIDE AND ALKYL HALIDE (1980)

Abstract Umsetzung des Benzazepinons (II) mit NaH und den′: Halogeniden (I) im Molverhältnis 2:4: 1.1 bzw. mit NaH und den ogoo‐Dibromalkanen (IV) im Molverhältnis 2:6:2.2 führt zu den 1‐substituierten Benzazepinonen (III) bzw. zu einem Gemisch aus den Spiranen (V) und den a,w‐Bis‐benzazepinylalkanen (VI).
Suicidal erythrocyte death, eryptosis, as a novel mechanism in heart failure-associated anaemia (2013)

Eryptosis is increased during HF development and could contribute to HF-associated anaemia. Eryptosis may therefore become a novel target for therapy in HF-associated anaemia.
An IgA monoclonal antibody directed against type III antigen on group B streptococci acts as an opsonin. (1989)

We have investigated the mechanisms by which a murine IgA mAb directed against the type III Ag (IgA anti-III mAb) of group B streptococci (GBS) protects neonatal rats from lethal infection with these organisms. Purified IgA anti-III mAb enhanced phagocytosis of type III GBS by rat peritoneal macrophages in vitro by fourfold compared with phagocytosis of buffer-treated GBS. In the absence of antibody, neonatal rat serum did not promote phagocytosis, but addition of neonatal rat serum to GBS opsonized with IgA anti-III led to a sevenfold increase in phagocytosis. Heat inactivation of C destroyed the ability of neonatal rat serum to enhance phagocytosis in the presence of IgA. C3 deposition was observed when GBS coated with IgA anti-III mAb were incubated in untreated neonatal rat serum or in serum treated with Mg/EGTA. This latter observation suggested that C3 deposition occurred through activation of the alternative pathway. The control IgA mAb MOPC 315 did not enhance GBS ingestion or C3 deposition on GBS. Depletion of C in vivo by using cobra venom factor abolished the protective effect of IgA anti-III mAb in the neonatal rat model. These data suggest that the ability of this IgA to activate C further enhances its opsonic activity and may be essential for its protective effect in vivo.
Breast Cancer Version 3.2014 (2014)

Breast cancer is the most common malignancy in women in the United States and is second only to lung cancer as a cause of cancer death. The overall management of breast cancer includes the treatment of local disease with surgery, radiation therapy, or both, and the treatment of systemic disease with cytotoxic chemotherapy, endocrine therapy, biologic therapy, or combinations of these. The NCCN Guidelines specific to management of large clinical stage II and III tumors are discussed in this article. These guidelines are the work of the members of the NCCN Breast Cancer Panel. Expert medical clinical judgment is required to apply these guidelines in the context of an individual patient to provide optimal care. Although not stated at every decision point of the guidelines, patient participation in prospective clinical trials is the preferred option of treatment for all stages of breast cancer.