gebhart/patrepeval huggingface dataset:
Optically active cyclopalladated derivatives of arylimines. Crystal structures of (+)-[{Pd[p-MeOC6H3CHNCH2-(1S,2R,5S)CHCH2CH2CHC(Me)2CHCH2](μ-X)}2] (X = Cl or Br), (+)-[Pd{p-MeOC6H3CHNCH2-(1S,2R,5S )-CHCH2CH2CHC(Me)2CHCH2}Cl(PPh3)] and (+)-[{Pd[p-MeOC6H3CHNCH2-(1S,2R,5S)-CHCH2CH2CHC(Me)2CHCH2]Cl}2{Fe(δ5-C5H4PPh2)2}] (1998)

4-Methoxybenzaldehyde reacted with (–)-(1S,2R,5S)-2-aminomethyl-6,6-dimethylbicyclo[3.1.1]heptane inbenzene to give the new chiral arylimine p-MeOC6H4CHNCH2-(1S,2R,5S)-CHCH2CH2CHC(CH3)2CHCH2 [(–)-I]. Cyclopalladation of the imine with Pd(O2CMe)2 in MeCO2H, followed by treatment with LiCl, LiBr or KI, gave the corresponding di-µ-halide-bridged organometallics (+)-[{Pd[p-MeOC6H3CHNCH2-(1S,2R,5S)-CHCH2CH2CHC(Me)2CHCH2](µ-X)}2] [X = Cl (+)-1a, Br (+)-1b or I (+)-1c]. Subsequent treatment of these compounds with triphenylphosphine, pyridine (py) or 1,1′-bis(diphenylphosphino)ferrocene (dppf) in acetone yielded the corresponding cyclopalladated derivatives (+)-[Pd{p-MeOC6H3CHNCH2-(1S,2R,5S)-CHCH2CH2CHC(Me)2CHCH2}X(PPh3)] [X = Cl (+)-2a, Br (+)-2b or I (+)-2c], (+)-[Pd{p-MeOC6H3CHNCH2-(1S,2R,5S)-CHCH2CH2CHC(CH3)2CHCH2}X(py)] [X = Cl (+)-3a, Br (+)-3b or I (+)-3c] and (+)-[{Pd[p-MeOC6H3CHNCH2-(1S,2R,5S)-CHCH2CH2CHC(Me)2CHCH2)]X}2(dppf)] [X = Cl (+)-4a, Br (+)-4b or I (+)-4c], which have been characterized by NMR and mass spectrometry, optical rotation and elemental analysis. The crystal structures of (+)-1a, (+)-1b, (+)-2a and (+)-4b·CH2Cl2 have been determined.
Liposomes as drug carriers : recent trends and progress (1988)

This book is about liposomes and their uses in drug delivery. Conventional use of drugs is marred by side effects due to indiscriminate drug action, inability of drugs to reach areas in need of pharmacological intervention and drug premature inactivation and secretion. Liposomes incorporating drugs can direct these to diseased areas, in isolation from non-target biological milieu and introduce drugs to areas otherwise inaccessible. The book, which comprises 60 chapters written by internationally known researchers, discusses applications related to antimicrobial and cancer therapy, vaccines, enzyme therapy, metal detoxification and diagnostics. A number of chapters also deal with the interaction of liposomes with the biological milieu in vitro and in vivo and ways of optimizing liposomal behaviour by manipulation of the carrier, for instance its targeting via antibodies and other ligands specific to cell receptors. The book is a substantial update and expansion of a previous volume edited by Gregoriadis and Allinson in 1980.
AMP‐forming acetyl‐CoA synthetases in Archaea show unexpected diversity in substrate utilization (2006)

Adenosine monophosphate (AMP)-forming acetyl-CoA synthetase (ACS; acetate:CoA ligase (AMP-forming), EC 6.2.1.1) is a key enzyme for conversion of acetate to acetyl-CoA, an essential intermediate at the junction of anabolic and catabolic pathways. Phylogenetic analysis of putative short and medium chain acyl-CoA synthetase sequences indicates that the ACSs form a distinct clade from other acyl-CoA synthetases. Within this clade, the archaeal ACSs are not monophyletic and fall into three groups composed of both bacterial and archaeal sequences. Kinetic analysis of two archaeal enzymes, an ACS from Methanothermobacter thermautotrophicus (designated as MT-ACS1) and an ACS from Archaeoglobus fulgidus (designated as AF-ACS2), revealed that these enzymes have very different properties. MT-ACS1 has nearly 11-fold higher affinity and 14-fold higher catalytic efficiency with acetate than with propionate, a property shared by most ACSs. However, AF-ACS2 has only 2.3-fold higher affinity and catalytic efficiency with acetate than with propionate. This enzyme has an affinity for propionate that is almost identical to that of MT-ACS1 for acetate and nearly tenfold higher than the affinity of MT-ACS1 for propionate. Furthermore, MT-ACS1 is limited to acetate and propionate as acyl substrates, whereas AF-ACS2 can also utilize longer straight and branched chain acyl substrates. Phylogenetic analysis, sequence alignment and structural modeling suggest a molecular basis for the altered substrate preference and expanded substrate range of AF-ACS2 versus MT-ACS1.
Expression of collagenase-3 (matrix metalloproteinase-13) in transitional-cell carcinoma of the urinary bladder (2000)

Expression of collagenase-3 [matrix metalloproteinase-13 (MMP-13)] has been previously demonstrated in squamous-cell carcinomas of both the head and neck and the vulva, cutaneous basal-cell carcinomas, chondrosarcomas and melanomas. Using in situ hybridization, MMP-13 mRNA expression was detected in 13 of 23 (52%) urinary bladder transitional-cell carcinomas (TCCs). Expression was restricted to cells in the invading edges of tumors. No expression of MMP-13 mRNA could be detected in normal urothelium. As detected by immunohistochemistry, MMP-13 protein showed an expression pattern similar to that of MMP-13 mRNA. Expression of MMP-13 mRNA and protein was also detected in 2 bladder carcinoma cell lines (RT4 and T24). In these cell lines, TNF-alpha potently induced MMP-13 mRNA expression. Retinoids and a selective p38 inhibitor, SB203580, potently inhibited MMP-13 mRNA expression. Our results demonstrate MMP-13 expression in human urinary bladder carcinoma cells in vivo and in vitro and suggest that MMP-13 may serve as a marker for transformation and invasion in urinary bladder TCCs.
Engagement of OX40 Enhances Antigen-Specific CD4+ T Cell Mobilization/Memory Development and Humoral Immunity: Comparison of αOX-40 with αCTLA-4 (2001)

Increasing the long-term survival of memory T cells after immunization is key to a successful vaccine. In the past, the generation of large numbers of memory T cells in vivo has been difficult because Ag-stimulated T cells are susceptible to activation-induced cell death. Previously, we reported that OX40 engagement resulted in a 60-fold increase in the number of Ag-specific CD4(+) memory T cells that persisted 60 days postimmunization. In this report, we used the D011.10 adoptive transfer model to examine the kinetics of Ag-specific T cell entry into the peripheral blood, the optimal route of administration of Ag and alphaOX40, and the Ag-specific Ab response after immunization with soluble OVA and alphaOX40. Finally, we compared the adjuvant properties of alphaOX40 to those of alphaCTLA-4. Engagement of OX-40 in vivo was most effective when the Ag was administered s.c. Time course studies revealed that it was crucial for alphaOX40 to be delivered within 24-48 h after Ag exposure. Examination of anti-OVA Ab titers revealed a 10-fold increase in mice that received alphaOX40 compared with mice that received OVA alone. Both alphaOX40 and alphaCTLA-4 increased the percentage of OVA-specific CD4(+) T cells early after immunization (day 4), but alphaOX40-treated mice had much higher percentages of OVA-specific memory CD4(+) T cells from days 11 to 29. These studies demonstrate that OX40 engagement early after immunization with soluble Ag enhances long-term T cell and humoral immunity in a manner distinct from that provided by blocking CTLA-4.
Repeat Treatment of Obese Mice With BRL 49653, a New Potent Insulin Sensitizer, Enhances Insulin Action in White Adipocytes: Association With Increased Insulin Binding and Cell-Surface GLUT4 as Measured by Photoaffinity Labeling (1995)

(+/-)-5-([4-[2-Methyl-2(pyridylamino)ethoxy]phenyl]methyl) 2,4-thiazolidinedione (BRL 49653) is a new potent antidiabetic agent that improves insulin sensitivity in animal models of NIDDM. In C57BL/6 obese (ob/ob) mice, BRL 49653, included in the diet for 8 days, improved glucose tolerance. The half-maximal effective dose was 3 mumol/kg diet, which is equivalent to approximately 0.1 mg/kg body wt. Improvements in glucose tolerance were accompanied by significant reductions in circulating triacylglycerol, nonesterified fatty acids, and insulin. The insulin receptor number of epididymal white adipocytes prepared from obese mice treated with BRL 49653 (30 mumol/kg diet) for 14 days was increased twofold. The affinity of the receptor for insulin was unchanged. In the absence of added insulin, the rates of glucose transport in adipocytes from untreated and BRL 49653-treated obese mice were similar. Insulin (73 nmol/l) produced only a 1.5-fold increase in glucose transport in adipocytes from control obese mice, whereas after BRL 49653 treatment, insulin stimulated glucose transport 2.8-fold. BRL 49653 did not alter the sensitivity of glucose transport to insulin. The increase in insulin responsiveness was accompanied by a 2.5-fold increase in the total tissue content of the glucose transporter GLUT4. Glucose transport in adipocytes from lean littermates was not altered by BRL 49653. To establish the contribution of changes in glucose transporter trafficking to the BRL 49653-mediated increase in insulin action, the cell-impermeant bis-mannose photolabel 2-N-[4-(1-azi-2,2,2-trifluoroethyl)benzoyl]-1,3-bis-(D-mannos++ +-4-yloxy) -2-[2-3H]-propylamine was used to measure adipocyte cell-surface-associated glucose transporters.(ABSTRACT TRUNCATED AT 250 WORDS)
The efficacy and safety of leflunomide in patients with active rheumatoid arthritis: A five‐year followup study (2003)

The improvements in both functional ability and physician-based efficacy measures seen with leflunomide after 1 year were maintained for up to 5 years (maximum treatment duration 5.8 years), demonstrating that the early efficacy of leflunomide in patients with RA is sustained long-term, and that the long-term safety profile of leflunomide is no different from that observed in phase III trials.
Raman spectroscopy of graphite (2004)

We present a review of the Raman spectra of graphite from an experimental and theoretical point of view. The disorder-induced Raman bands in this material have been a puzzling Raman problem for almost 30 years. Double-resonant Raman scattering explains their origin as well as the excitation-energy dependence, the overtone spectrum and the difference between Stokes and anti-Stokes scattering. We develop the symmetry-imposed selection rules for double-resonant Raman scattering in graphite and point out misassignments in previously published works. An excellent agreement is found between the graphite phonon dispersion from double-resonant Raman scattering and other experimental methods.
Influence of CYP2D6 activity on the disposition and cardiovascular toxicity of the antidepressant agent venlafaxine in humans. (1999)

According to in-vitro studies with microsomes from human livers and from yeast expression systems with high CYP2D6 activity, the major oxidation pathway of venlafaxine is catalysed by CYP2D6. In this study, we investigated the role of the CYP2D6 polymorphism and the effects of low-dose quinidine, a selective inhibitor of, CYP2D6, on the disposition of venlafaxine. Fourteen healthy men, eight with the extensive metabolizer and six with the poor metabolizer phenotype were administered venlafaxine hydrochloride 18.75 mg orally every 12 h for 48 h on two occasions (1 week apart); once alone and once during the concomitant administration of quinidine sulfate 100 mg every 12 h. Blood and urine samples were collected under steady-state conditions over one dosing interval (12 h). When venlafaxine was administered alone, the oral clearance of venlafaxine was more than fourfold less in poor metabolizers compared to extensive metabolizers (P < 0.05). This was mainly due to a decreased capability of poor metabolizers to form O-desmethylated metabolites at the position 4 of the aromatic moiety. In extensive metabolizers, quinidine decreased venlafaxine oral clearance from 100 +/- 62 l/h to 17 +/- 5 l/h (mean +/- SD; P < 0.05) without any effects on renal clearance (4 +/- 1 l/h during venlafaxine alone and 4 +/- 1 l/h during venlafaxine plus quinidine). In these individuals, the sequential metabolism of venlafaxine to O-desmethylvenlafaxine and to N,O-didesmethylvenlafaxine was inhibited by quinidine coadministration so that metabolic clearances to O-desmethylated metabolites decreased from 43 +/- 32 l/h to 2 +/- 1 l/h (P < 0.05). In poor metabolizers, coadministration of quinidine did not cause significant changes in oral clearance and partial metabolic clearances of venlafaxine to its various metabolites. Decreased CYP2D6 activity could also be associated with cardiovascular toxicity as observed in four patients during treatment with the drug. Thus, genetically determined or pharmacologically altered CYP2D6 activity represents a major determinant of venlafaxine disposition in humans.
Some Forms of the Strain Energy Function for Rubber (1993)

Abstract According to Rivlin's Phenomenological Theory of Rubber Elasticity, the elastic properties of a rubber may be described in terms of a strain energy function which is an infinite power series in the strain invariants I 1 , I 2 and I 3 . The simplest forms of Rivlin's strain energy function are the neo -Hookean, which is obtained by truncating the infinite series to just the first term in I 1 , and the Mooney-Rivlin, which retains the first terms in I 1 and I 2 . Recently, we proposed a strain energy function which is a cubic in I 1 . Conceptually, the proposed function is a material model with a shear modulus that varies with deformation. In this paper, we compare the large strain behavior of rubber as predicted by these forms of the strain energy function. The elastic behavior of swollen rubber is also discussed.
Inhibition of human platelet aggregation by a novel S‐nitrosothiol is abolished by haemoglobin and red blood cells in vitro: implications for anti‐thrombotic therapy (2000)

1. S-Nitrosothiols are nitric oxide (NO) donor drugs that have been shown to inhibit platelet aggregation in platelet rich plasma (PRP) in vitro and to inhibit platelet activation in vivo. The aim of this study was to compare the platelet effects of a novel S-nitrosated glyco-amino acid, RIG200, with an established S-nitrosothiol, S-nitrosoglutathione (GSNO) in PRP, and to investigate the effects of cell-free haemoglobin and red blood cells on S-nitrosothiol-mediated inhibition of platelet aggregation. 2. The effects of GSNO and RIG200 in collagen (2.5 microg ml(-1))-induced platelet aggregation in PRP and whole blood were investigated in vitro. Both compounds were found to be powerful inhibitors of aggregation in PRP, and RIG200 was significantly more potent (IC(50)=2.0 microM for GSNO and 0.8 microM for RIG200; P=0.04). 3. Neither compound inhibited aggregation in whole blood, even at concentrations of 100 microM. Red blood cell concentrations as low as 1% of the haematocrit, and cell-free haemoglobin (> or = 2.5 microM), significantly reduced their inhibitory effects on platelets. 4. Experiments involving measurement of cyclic GMP levels, electrochemical detection of NO and electron paramagnetic resonance of haemoglobin in red blood cells, indicated that scavenging of NO generated from S-nitrosothiols by haemoglobin was responsible for the lack of effect of S-nitrosothiols on platelets in whole blood. 5. These studies suggest that scavenging of NO by haemoglobin in blood might limit the therapeutic application of S-nitrosothiols as anti-platelet agents.
Reverse engineering (2001)

research-article Reverse engineering Share on Author: Rob Pierce View Profile Authors Info & Claims Communication Design Quarterly ReviewVolume 2Issue 1March 2001 pp 3–5https://doi.org/10.1145/2168736.2168737Online:01 March 2001Publication History 0citation76DownloadsMetricsTotal Citations0Total Downloads76Last 12 Months5Last 6 weeks0 Get Citation AlertsNew Citation Alert added!This alert has been successfully added and will be sent to:You will be notified whenever a record that you have chosen has been cited.To manage your alert preferences, click on the button below.Manage my AlertsNew Citation Alert!Please log in to your account Save to BinderSave to BinderCreate a New BinderNameCancelCreateExport CitationPublisher SiteGet Access
Rapid detection of Parkinson's disease by SPECT with altropane: A selective ligand for dopamine transporters (1998)

Increasing evidence indicates that dopamine (DA) transporter density declines in Parkinson's disease (PD). 2Beta-carbomethoxy-3beta-(4-fluorophenyl)-n-(1-iodoprop-1-en -3-yl) nortropane (IACFT, Altropane) is a cocaine analog with high affinity and selectivity for dopamine transporter (DAT) sites in the striatum. In this study, single photon emission computed tomography (SPECT) with [123I]altropane was used to measure DAT density in seven healthy volunteers (five males, age 37-75, and two females, ages 26 and 39) and eight male patients with Parkinson's disease (age 14-79, Hoehn and Yahr stage: 1.5-3 (n = 5) and 4-5 (n = 3)). Dynamic SPECT images and arterial blood samples were acquired over 1.5-2 hr and plasma radioactivity was analyzed chromatographically to obtain metabolite corrected arterial input functions. Binding potential (BP, B'max/KD) for striatal (Str) DAT sites was calculated by two methods using occipital cortex (Occ) as a reference. In the first method, tissue time-activity curves (TAC) and metabolite corrected arterial input functions were analyzed by a linear graphical method developed for reversible receptor ligands. In the second method, the expression (Str(TAC) - Occ(TAC)) was fitted to a gamma variate function and the maximum divided by Occ(TAC) at the same time was used to estimate BP. In five of the PD patients, the SPECT data were compared with the results of PET with [18F] 6-fluoro DOPA (FD-PET). Plasma analysis indicated that [123I]altropane is rapidly converted to polar metabolites. SPECT images in healthy volunteers showed that [123I] altropane accumulated rapidly and selectively in the striatum and yielded excellent quality images within 1 h after injection. Both methods of analysis revealed a 7.6%/decade reduction in BP and average striatal values (corrected to age 25) were 1.83 +/- 0.22 and 2.09 +/- 0.20 by methods 1 and 2. In all the PD patients, striatal accumulation was markedly reduced and the pattern of loss was similar to that reported for DA; most profound in the posterior putamen with relative sparing of the caudate nuclei. A comparable pattern was observed with FD-PET. For total striatum, age-corrected BP was significantly (P < 0.001) reduced; 0.83 +/- 0.06 (method 1), 0.84 +/- 0.07 (method 2). BPs measured by the two methods were remarkably similar and highly correlated r2 = 0.88, (P < 0.001). These results indicate that [123I]altropane is an excellent SPECT ligand for imaging the DAT/DA neurons in human brain. The high selectivity and rapid striatal accumulation of the ligand allows for accurate quantitation of DAT sites in less than 2 hr. The results further demonstrate that [123I]altropane is an effective marker for PD.
An approach for recording and readout beyond the diffraction limit with an Sb thin film (1998)

A technique for recording and retrieving small marks beyond the optical diffraction limit was proposed. The basic experiment with this technique was also carried out at a constant linear velocity of 2.0 m/s, rotating a disk with a multi-layered structure of Sb and GeSbTe, which were separated by a thin film of SiN. By use of the optically nonlinear property of the Sb thin film, carrier to noise ratio of more than 10 dB was obtained from recorded marks of 90 nm, using an optical system with the laser wavelength of 686 nm and a numerical aperture of 0.6.
Cycloolefin‐copolymere: Eine neue klasse transparenter thermoplaste (1994)

Abstract Investigation of the polymerization process and property modification of metallocene‐based cycloolefin copolymers (COC) shows that this monomer‐catalyst combination enables synthesis of a new class of transparent thermoplastic polymers. Metallocene catalysis offers much opportunity to vary the composition and microstructure of the copolymers. The breadth of the polymer spectrum which can be further widened by polymer modification enables many applications for this new class of thermoplastics. The key parameters that control structure and properties in the COC family are discussed in this paper.
[Purification and physico-chemical characteristics of chorionic alpha1-microglobulin]. (1980)

Highly purified chorionic alpha-microglobulin was isolated from amniotic fluid by precipitation with lantham chloride, ammonium and lithium sulfates coupled with adsorption chromatography with calcium pyrophosphate. The following physicochemical properties of the protein were determined: molecular weight, relative electrophoretic mobility, interaction with protamine sulfate and lectins, enzymatic stability and precipitation with salts.
A Humanized Antibody That Regulates the Alternative Pathway Convertase: Potential for Therapy of Renal Disease Associated with Nephritic Factors (2014)

Dysregulation of the complement alternative pathway can cause disease in various organs that may be life-threatening. Severe alternative pathway dysregulation can be triggered by autoantibodies to the C3 convertase, termed nephritic factors, which cause pathological stabilization of the convertase enzyme and confer resistance to innate control mechanisms; unregulated complement consumption followed by deposition of C3 fragments in tissues ensues. The mAb, 3E7, and its humanized derivative, H17, have been shown previously to specifically bind activated C3 and prevent binding of both the activating protein, factor B, and the inhibitor, factor H, which are opposite effects that complicate its potential for therapy. Using ligand binding assays, functional assays, and electron microscopy, we show that these Abs bind C3b via a site that overlaps the binding site on C3 for the Ba domain within factor B, thereby blocking an interaction essential for convertase formation. Both Abs also bind the preformed convertase, C3bBb, and provide powerful inhibition of complement activation by preventing cleavage of C3. Critically, the Abs also bound and inhibited C3 cleavage by the nephritic factor-stabilized convertase. We suggest that by preventing enzyme formation and/or cleavage of C3 to its active downstream fragments, H17 may be an effective therapy for conditions caused by severe dysregulation of the C3 convertase and, in particular, those that involve nephritic factors, such as dense deposit disease.
Recent advances in bioorthogonal reactions for site-specific protein labeling and engineering (2015)

In the past two decades, with the rapid development of chemical biology, tremendous small-molecule based toolkits were created by organic chemists, and were widely used to study and manipulate proteins in order to dissect their complicated biological functions. This review summarizes some recent progresses of bioorthogonal reactions for site-specific protein labeling and engineering, and highlights the powers of using these methods to study the biological functions of some proteins.
Studies on Organophosphorus Compounds; LXXV: A Facile Synthesis of 1-(Hydroxyamino)alkyl(or aryl)phosphonic Acids (1993)

Reduction of dialkyl 1-(hydroxyimino)alkyl(aryl)phosphonate 1 with borane-pyridine complex proceeds smoothly to give dialkyl 1-(hydroxyamino) alkyl(or aryl)phosphonate 2 which is then easily converted into the corresponding hydroxyaminophosphonic acid 3 by acidic hydrolysis.