gebhart/patrepeval huggingface dataset:
Robust and efficient molecular catalysts with a M–O–M′ framework (2007)

Heterodimetallic systems are the most interesting among the heteropolynuclear compounds. The importance of these molecules is mainly due to their catalytic properties. Although various types of heterodimetallic systems are known the framework with a M-O-M' arrangement is of particular importance. This stems from its ability to catalyze various transformations. The improved catalytic ability is due to the oxygen bridge that makes the metal centres more electrophilic which is an essential criteria for a system to function as a catalyst. Therefore, the present article focuses on the synthesis of the M-O-M' system and explores the application of such materials as catalysts in olefin polymerization, ring opening polymerization of caprolactone, olefin epoxidation, and olefin hydroformylation reactions.
Stereochemistry of Bockmuehl's synthesis of methadone (1976)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStereochemistry of Bockmuehl's synthesis of methadoneCharles J. Barnett and Jeffrey C. SmirzCite this: J. Org. Chem. 1976, 41, 4, 710–711Publication Date (Print):February 20, 1976Publication History Published online1 May 2002Published inissue 20 February 1976https://pubs.acs.org/doi/10.1021/jo00866a030https://doi.org/10.1021/jo00866a030research-articleACS PublicationsRequest reuse permissionsArticle Views539Altmetric-Citations9LEARN 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
Compstatin: a C3‐targeted complement inhibitor reaching its prime for bedside intervention (2015)

There is a growing awareness that complement plays an integral role in human physiology and disease, transcending its traditional perception as an accessory system for pathogen clearance and opsonic cell killing. As the list of pathologies linked to dysregulated complement activation grows longer, it has become clear that targeted modulation of this innate immune system opens new windows of therapeutic opportunity for anti-inflammatory drug design. Indeed, the introduction of the first complement-targeting drugs has reignited a vibrant interest in the clinical translation of complement-based inhibitors. Compstatin was discovered as a cyclic peptide that inhibits complement activation by binding C3 and interfering with convertase formation and C3 cleavage. As the convergence point of all activation pathways and a molecular hub for crosstalk with multiple pathogenic pathways, C3 represents an attractive target for therapeutic modulation of the complement cascade. A multidisciplinary drug optimization effort encompassing rational 'wet' and in silico synthetic approaches and an array of biophysical, structural and analytical tools has culminated in an impressive structure-function refinement of compstatin, yielding a series of analogues that show promise for a wide spectrum of clinical applications. These new derivatives have improved inhibitory potency and pharmacokinetic profiles and show efficacy in clinically relevant primate models of disease. This review provides an up-to-date survey of the drug design effort placed on the compstatin family of C3 inhibitors, highlighting the most promising drug candidates. It also discusses translational challenges in complement drug discovery and peptide drug development and reviews concerns related to systemic C3 interception.
Determinants of satisfactory rigidity after intracavernosal injection with prostaglandin E1 in men with erectile failure. (1996)

The study examines the erectile response of intracavernosal injection with increasing doses of prostaglandin E1 (PGE) and papaverine/phentolamine (PP) in 516 men with erectile failure. The response was correlated to age, the duration of erectile failure, the quality of spontaneous erections, tobacco consumption and medicine use. In addition, the erectile response was related to penile brachial index (PBI) the free testosterone index and various hormonal parameters. Over 60% of the subjects obtained satisfactory rigidity of at least 30 min duration with 7-15 micrograms PGE. A further 15% (PGE non-responders at the doses tested) obtained rigidity with PP. The average dose necessary to achieve rigidity was 8.8 micrograms for PGE and 0.94 ml (papaverine: 15 mg/ml; phentolamine 0.5 mg/ml) for PP. The average duration of rigidity was 2.2 h and 2.3 h for PGE and PP, respectively. Tobacco consumption, the duration of erectile failure and the age of the subject did not influence the response to intracavernosal injection. Moreover the PBI, the free testosterone index or libido of the subject, did not appear to be generally important for obtaining satisfactory rigidity. In contrast, chronic medication, especially antihypertensive drugs, was associated with significantly higher numbers of poor responders, a shorter duration of erection in the responders and higher doses of PGE necessary to achieve a satisfactory response. The combination of increasing age and antihypertensive medication was predictive for a poor intracavernosal response. In general, a reduced incidence of morning erections was predictive of a weaker response to PGE. The proportion of men with a PBI lower than 0.75 increased with age. These subjects more often took chronic medication, had a lower frequency of morning erections and exhibited a significantly weaker reaction to PGE than subjects with higher PBI. In summary, a large number of men with erectile failure can obtain satisfactory rigidity with intracavernosal injection. In men taking antihypertensive medication, especially in higher age groups, the dose of the intracavernosal medication had to be increased. A reduced sensitivity to intracavernosal medication could be predicted from a lower PBI and a reduced frequency of spontaneous erections.
Alkaline Extracellular Protease Produced by Saccharomycopsis lipolytica CX161-1B (1982)

Saccharomycopsis lipolytica CX161-1B, a strain suitable for genetic studies, when grown at neutral pH produced a single alkaline extracellular protease, lower levels of acid extracellular protease(s) and no neutral extracellular protease. The alkaline protease was purified to homogeneity (as determined by polyacrylamide gel electrophoresis) by ultrafiltration, gel filtration and DEAE-cellulose chromatography. The molecular weight of the enzyme was estimated by gel filtration to be 27000-30000, and the isoelectric point was pH 5.7. The purified enzyme had an alkaline pH optimum (pH 9-10). It was completely inhibited by phenylmethylsulphonyl fluoride, reversibly inhibited by EDTA, partially inhibited by o-phenanthroline, and not inhibited by dithiothreitol, N-ethylmaleimide or 4-hydroxymercuribenzoic acid, indicating that it is a serine protease. The content of sulphur amino acids was determined, and the purified protease contained no more than 1.8% carbohydrate as determined by the phenol-sulphuric acid method. The N-terminal amino acid sequence (25 residues) was determined; the N-terminal amino acid was alanine.
Short Peptides as Inhibitors of Amyloid Aggregation (2011)

The misfolding and aggregation of proteins into amyloid has been linked to a variety of age-related diseases. Aggregation of proteins, such as Aβ in Alzheimer's disease and Islet Amyloid Polypeptide (IAPP, amylin) in type 2 diabetes, appears to lead to the formation of toxic assemblies. These assemblies range in size from small oligomers (2-8 proteins) to large fibrils (thousands of proteins). It remains unclear how these amyloidogenic proteins misfold and form toxic species, but growing evidence suggests that inhibiting the aggregation of these proteins could slow, if not prevent altogether, the progression of these diseases. We describe the use of small peptides (<43 amino acids) as inhibitors of amyloid-based aggregation. These peptides, often short complementary segments of the amyloid proteins, can be useful (i) for identifying the aggregation-prone regions of the amyloid proteins (ii) as models for drug discovery and (iii) as potential therapeutic agents themselves.
Metabolic Engineering of Ammonium Assimilation in Xylose-Fermenting <i>Saccharomyces cerevisiae</i> Improves Ethanol Production (2003)

Cofactor imbalance impedes xylose assimilation in Saccharomyces cerevisiae that has been metabolically engineered for xylose utilization. To improve cofactor use, we modified ammonia assimilation in recombinant S. cerevisiae by deleting GDH1, which encodes an NADPH-dependent glutamate dehydrogenase, and by overexpressing either GDH2, which encodes an NADH-dependent glutamate dehydrogenase, or GLT1 and GLN1, which encode the GS-GOGAT complex. Overexpression of GDH2 increased ethanol yield from 0.43 to 0.51 mol of carbon (Cmol) Cmol(-1), mainly by reducing xylitol excretion by 44%. Overexpression of the GS-GOGAT complex did not improve conversion of xylose to ethanol during batch cultivation, but it increased ethanol yield by 16% in carbon-limited continuous cultivation at a low dilution rate.
Deep Fracture Imaging Around the Wellbore Using Dipole Acoustic Logging (2011)

Abstract Characterizing fractures in reservoir rocks is important because they provide critical conduits for hydrocarbon production from the reservoir into the wellbore. The standard method uses shallow borehole imaging services, both acoustic and resistivity, which essentially look at the intersection of the fractures at the borehole wall. Cross-dipole technology has extended the depth of evaluation some 2 to 4 ft around the borehole by measuring the fracture-induced azimuthal shear-wave anisotropy. A recently developed shear-wave reflection imaging technique provides a method for fracture characterization in a much larger volume around the borehole with a radial extent of approximately 60 ft. This technique uses a dipole acoustic tool to generate shear waves that radiate away from the borehole and strike a fracture surface. The tool also records the shear reflection from the fracture. The shear-wave reflection, particularly the SH waves polarizing parallel to the fracture surface, is especially sensitive to open fractures, enabling the fractures to be imaged using this dipole-shear reflection data. We use case examples to demonstrate the effectiveness of this shear-wave imaging technology that maps fractures up to 60 ft away and even detects fractures that do not intercept the borehole.
Selective Chemisorption of End-Functionalized Conjugated Polymer on Macro- and Nanoscale Surfaces (2004)

Linear and conjugated poly(p-phenylene ethynylene)s (PPEs) with three different types of functionalized end groups (thiolacetate, isocyanide, and carboxylic acid groups) were synthesized, and their selective chemisorption behavior on various substrate surfaces were investigated using UV/vis transmission absorption spectroscopy. The UV/vis spectra of the PPEs were clearly dependent on the chemical affinity between the PPE end group and the solid surfaces. Furthermore, regarding the chemisorption of thiolacetate modified polymer on a nanoscopic gold particle surface, we visualized novel polymer-colloid nanoarchitectures such as a barbell-type nanohybrid and interconnected polymer nanowire structures that are successively linked through gold nanoparticles.
Synthesis of Related Substances of Cefadroxil (1994)

Abstract The chemical synthesis of some related substances of the cephalosporin antibiotic cefadroxil is described. These compounds which may be present in commercial samples originate from the semisynthetic preparation of the antibiotic or from degradation. The preparation of these products enables the validation of selective quantitative analytical methods, such as liquid chromatography and tlc.
Contemporary ossiculoplastic options (2001)

Chronic suppurative otitis media frequently results in disruption of the ossicular chain. Once disease has been eradicated, the next goal of surgery is reconstitution of an intact sound conduction mechanism from the tympanic membrane to the inner ear. Many surgical techniques and prostheses have been developed to accomplish this result. Advances in biomaterials have increased their use and acceptance rather than autograft and homograft reconstruction. Use of the residual malleus handle for reconstruction is driving changes in ossicular prosthetic design. Ossiculoplasty often occurs concurrently with tympanic membrane grafting. Thus, tympanoplasty technique must be considered when ossiculoplasty is performed. Stratification of ossicular defects and middle ear status is essential to standardize reporting and allow valid comparisons between studies. The Middle Ear Risk Index is recommended as a uniform reporting protocol.
Pricing in the UK retail energy market, 2005 - 2013 (2013)

UK governments and the energy regulator have shown increasing concern about the health of competition in the residential energy market, following their pioneering deregulation at the end of the last century. We identify the effects of introducing the non discrimination clauses in 2009, a major regulatory intervention and the first since deregulation. We explore the effect of this intervention on the price movements of the six major players, and find that the nature of competition in the industry has changed, with less effective rivalry between the regional incumbents and large regional competitors following the intervention; companies seem to have â€˜retreatedâ€™ to their home regions, leaving a market where pricing behaviour resembles more closely a duopoly between British Gas and the regional incumbent
Periodic Space Partitioners (PSP) and their relations to Crystal Chemistry (2011)

Abstract We are looking back on 30 years development of periodic space partitioners (PSP) and their relations to their periodic relatives, i.e. minimal surfaces (PMS), zero potential surfaces (P0PS), nodal surfaces (PNS), and exponential scale surfaces. Hans-Georg von Schnering and Sten Andersson have pioneered this field especially in terms of applications to crystal chemistry. This review relates the early attempts to approximate periodic minimal surfaces which established a systematic classification of all PSP in terms space group symmetry and consecutive applications in a variety of different fields. A consistent nomenclature is outlined and different methods for deriving PSP are described. Characteristic structure factor sets which solely define PNS by can be used to discriminate structure types of a given symmetry or even to determine complicated crystal structures. The concept of PSP relates space group symmetry, topology, and chemical bonding in an intriguing way and tessellations on PSP which can be generated in a straight forward way allow to predict new framework types. Through transformation of such continuous topological forms a new entry has been found for understanding and interpreting reconstructive phase transitions. Finally we indicate the importance of PSP models for soft matter science.
Plasmid DNA and Messenger RNA for Therapy (2006)

This chapter contains sections titled: Nonviral Coding Nucleic Acids: Definition and Characteristics in Relation to Potential Therapeutic Use Plasmid DNA and Messenger RNA for Therapy Conclusions and Perspectives References
Equilibrium binding of Escherichia coli single-strand binding protein to single-stranded nucleic acids in the (SSB)65 binding mode. Cation and anion effects and polynucleotide specificity (1988)

The Escherichia coli single-strand binding (SSB) protein binds single-stranded (ss) nucleic acids in at least four distinct binding modes depending on the salt conditions [Lohman, T. M., & Overman, L. B. (1985) J. Biol. Chem. 260, 3594; Bujalowski, W., & Lohman, T. M. (1986) Biochemistry 25, 7799]. Equilibrium binding constants for the interaction of the E. coli SSB protein with poly(A), poly(U), poly(dA), and poly(dT) have been measured over a range of monovalent salt concentrations and types under conditions which favor only the high site size, (SSB)65 binding mode, which covers 65 nucleotides per SSB tetramer. The binding isotherms are analyzed by using a statistical thermodynamic model ("tetramer/octamer" model) that assumes cooperative binding of SSB is limited to the formation of octamers [Bujalowski, W., & Lohman, T. M. (1987) J. Mol. Biol. 195, 897] rather than the indefinite clustering of tetramers. The dependence of the intrinsic association equilibrium constant, Kobsd, and cooperativity parameter, omegoT/O, on salt concentration has been determined by titrations which monitor the fluorescence quenching of the SSB protein upon complex formation. In the (SSB)65 binding mode, SSB binds with only moderate cooperativity to ss nucleic acids [Lohman, T. M., Overman, L. B., & Datta, S. (1986) J. Mol. Biol. 187, 603]. The cooperativity parameter derived from the tetramer/octamer model, which represents the equilibrium constant for formation of a nucleic acid bound SSB octamer from two nucleic acid bound tetramers, has a value of omegaT/O = 410 +/- 120 and is independent of salt concentration and type for poly(dA), poly(U), and poly(A) (25 degrees C, pH 8.1). However, Kobsd decreases steeply with increasing salt concentration, such that alpha log Kobsd/alpha log [NaCl] = -7.4 +/- 0.5 for poly(U), -6.1 +/- 0.6 for poly(dA), and -6.2 +/- 0.3 for poly(A) (25.0 degrees C, pH 8.1). The SSB-poly(dT) affinity is too high to measure in buffers containing even 5 M NaCl; however, in 1.8-2.5 M NaBr, we measure alpha log Kobsd/alpha log [NaBr] = -5.7 +/- 0.7, with a lower value of omega T/O = 130 +/- 70. The polynucleotide specificity of the (SSB)65 binding mode (0.20 M NaCl, 25.0 degrees C, pH 8.1) is Kobsd(dT) greater than Kobsd(dC) much greater than Kobsd(ss M13 DNA) greater than Kobsd(I) greater than Kobsd(U) = 8Kobsd(dA) = 87Kobsd(A) much greater than Kobsd(C).(ABSTRACT TRUNCATED AT 400 WORDS)
GTP, an Inhibitor of Transglutaminases, is Hydrolyzed by Tissue-type Transglutaminase (TGase 2) but not by Epidermal-type Transglutaminase (TGase 3) (2000)

Epidermal-type transglutaminase (TGase 3) is devoid of GTPase activity, but its TGase activity is inhibited by GTP as in the case of tissue-type TGase (TGase 2). In addition, the inhibition was not affected by the presence of higher concentrations of Ca ion. These results indicate that GTP interacts with TGase 3 in a manner different from its action on TGase 2.
Feedforward transparent tone-in-band: its implementations and applications (1990)

Implementation of the transparent tone-in-band (TTIB) spectral manipulation technique is described, with particular attention given to the mechanism of feedforward subband recombination. It is shown that transparency of TTIB can be maintained for a wide variety of input signal types. Extremely rapid and accurate subband recombination can be achieved by correct choice of filter shape. Application of TTIB are discussed, ranging from inband signaling on public telephone lines to DC offset compensation for direct conversion transceivers.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Angiopoietin: A TIE(d) Balance in Tumor Angiogenesis (2007)

Angiopoietins (ANG-1 and ANG-2) and their TIE-2 receptor tyrosine kinase have wide-ranging effects on tumor malignancy that includes angiogenesis, inflammation, and vascular extravasation. These multifaceted pathways present a valuable opportunity in developing novel inhibition strategies for cancer treatment. However, the regulatory role of ANG-1 and ANG-2 in tumor angiogenesis remains controversial. There is a complex interplay between complementary yet conflicting roles of both the ANGs in shaping the outcome of angiogenesis. Embryonic vascular development suggests that ANG-1 is crucial in engaging interaction between endothelial and perivascular cells. However, recruitment of perivascular cells by ANG-1 has recently been implicated in its antiangiogenic effect on tumor growth. It is becoming clear that TIE-2 signaling may function in a paracrine and autocrine manner directly on tumor cells because the receptor has been increasingly found in tumor cells. In addition, alpha(5)beta(1) and alpha(v)beta(5) integrins were recently recognized as functional receptors for ANG-1 and ANG-2. Therefore, both the ligands may have wide-ranging functions in cellular activities that affect overall tumor development. Collectively, these TIE-2-dependent and TIE-2-independent activities may account for the conflicting findings of ANG-1 and ANG-2 in tumor angiogenesis. These uncertainties have impeded development of a clear strategy to target this important angiogenic pathway. A better understanding of the molecular basis of ANG-1 and ANG-2 activity in the pathophysiologic regulation of angiogenesis may set the stage for novel therapy targeting this pathway.
Prospects for Citrus Limonoids in Insect Pest Management (2000)

Limonin and other citrus limonoids act as insect repellents, feeding deterrents, growth disrupters, and reproduction inhibitors against several pest species across a wide range of agricultural crops. We have investigated how these allelochemic properties can be deployed as ecologically sound methods of insect pest management and reduce dependence on conventional, synthetic insecticides in potato production. In a multi-stage process of study and product development, we demonstrated that field populations of Colorado potato beetles, Leptinotarsa decemlineata (Say), could be effectively managed using larvicidal applications of limonoids. Adult repellent and oviposition deterrent effects of limonoids can prevent these pests from colonizing and reproducing in potato fields and thereby reduce or eliminate the need for further pest control efforts. Limonoids also appear to act as synergists to enhance the effectiveness of other biological and conventional insecticides. Research and development approaches and limitations of these materials in agricultural pest management are described.
Hypothalamic neurodegeneration and adult-onset obesity in mice lacking the <i>Ubb</i> polyubiquitin gene (2008)

Nearly all neurodegenerative diseases are associated with abnormal accumulation of ubiquitin (Ub) conjugates within neuronal inclusion bodies. To directly test the hypothesis that depletion of cellular Ub is sufficient to cause neurodegeneration, we have disrupted Ubb, one of four genes that supply Ub in the mouse. Here, we report that loss of Ubb led to a progressive degenerative disorder affecting neurons within the arcuate nucleus of the hypothalamus. This neurodegenerative cytopathology was accompanied by impaired hypothalamic control of energy balance and adult-onset obesity. Ubb was highly expressed in vulnerable hypothalamic neurons and total Ub levels were selectively reduced in the hypothalamus of Ubb-null mice. These findings demonstrate that maintenance of adequate supplies of cellular Ub is essential for neuronal survival and establish that decreased Ub availability is sufficient to cause neuronal dysfunction and death.