gebhart/patrepeval huggingface dataset:
Magnitude and orientation dependence of intermolecular interaction between perfluoroalkanes: High level ab initio calculations of CF4 and C2F6 dimers (2002)

Intermolecular interaction energies of eight orientation CF4 dimers and seven orientation C2F6 dimers were calculated with electron correlation correction by the second-order Møller–Plesset perturbation (MP2) method. The D3d CF4 dimer and C2h C2F6 dimer have the largest binding energies. Electron correlation correction increases the attraction considerably, while the effects of electron correlation beyond MP2 are small. Electrostatic and induction energies are not large in all cases. This indicates that dispersion interaction is mainly responsible for the attraction. The calculated binding energy of the CF4 dimer (0.69 kcal/mol) is about 60% larger than that of the CH4 dimer (0.44 kcal/mol), while the binding energy of the C2F6 dimer (1.02 kcal/mol) is close to that of the C2H6 dimer (0.90 kcal/mol). The intermolecular separations (C⋯C distance) in the CF4 and CH4 dimers at the potential minima are close (4.0 and 3.8 Å, respectively), while the separation in the C2F6 dimer (4.8 Å) is appreciably larger than that in the C2H6 dimer (4.0 Å). The larger intermolecular separation in the C2F6 dimer reduces dispersion energy. Therefore the binding energies of the C2F6 and C2H6 dimers are not largely different. The molar volume of C2F6 is substantially larger than that of C2H6 due to bulky fluorine atoms. The small difference of the binding energies suggests that the large molecular volume of perfluoroalkanes is the cause of their small heats of vaporization per volume.
ChemInform Abstract: A Synthetic Route to Poly‐N,N′‐dimethylethylenediamines. (1992)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Patterns of Evolution (1988)

We now need to look more closely at the evolutionary patterns that we wish to explain. Again, we can use the study of patterns to discover and define important problems to be solved. The methods available for the study of patterns depend on the focal level of the mechanism with which one is concerned. If our interest is in individual variation, naturally we need extensive sampling and laboratory experimentation, looking at individuals within populations. In order to study the biology of populations we must work at the population level, and at such phenomena as gene and character frequencies in the field and laboratory. It is at this level that workers have most readily been able to measure selection coefficients and other quantitative elements of evolutionary science. If our interest is in the processes of speciation we must look as closely as possible at examples of the process in action—at sibling species, at a whole range of hybridization patterns in the wild and laboratory, at the distribution of closely related species in space and time. (It will be noted that between population-level work and species-level work there is an unfortunate gap; one can look at prespeciation and postspeciation situations but it is rare indeed to be confident that one is looking at speciation in flagrante delicto.) We can also look beyond the species level at phenomena of species distribution within higher taxa. Here we progress to using the methods of systematic biology and comparative morphology and paleontology. Each of these different approaches gives a different view of the evolutionary process and, therefore, in terms of the questions discussed in this book, gives us a different view of the role of mechanisms acting at the developmental level within evolutionary mechanisms. Obviously the most immediate element of causality in the origin of adaptive structures resulting from developmental properties is in the matter of individual phenotypic variation, but some of the most interesting questions concern the consequences of developmental properties for higher focal levels—their upwardly causing properties. To examine these we need to look at the species level and beyond (what has often been termed croevolution).
Erlotinib: an EGF receptor tyrosine kinase inhibitor in non-small-cell lung cancer treatment (2008)

Approximately 213,380 new cases of non-small-cell lung cancer (NSCLC) were estimated to occur in the USA in 2007, which caused 160,390 NSCLC-related deaths. The majority of patients will be diagnosed with nonoperable, advanced-stage disease. Although combination chemotherapy remains the standard treatment, median survival with these regimens is only 8-10 months. Recent advances in our understanding of lung cancer on a molecular level have led to the introduction of targeted therapies. The EGF receptor (EGFR) was the first receptor to be proposed for cancer therapy and two EGFR-targeted pharmacologic approaches have been successfully developed: monoclonal antibodies (mAbs) and small-molecule inhibitors of the EGFR tyrosine kinase enzymatic activity. Erlotinib is a quinazoline derivative that selectively and reversibly inhibits the tyrosine kinase activity of the EGFR. Here, we review the mechanism(s) of action of erlotinib, as well as the results of Phase I, II and III trials with this drug in NSCLC, which have led to the worldwide approval of erlotinib treatment as monotherapy for therapy-refractory, advanced NSCLC patients.
Sketch-based Retrieval of Drawings Using Topological Proximity. (2008)

Currently, there are large collections of drawings from which users can select the desired ones to insert in their documents. However, to locate a particular drawing among thousands is not easy. In our prior work we proposed an approach to index and retrieve vector drawings by content, using topological and geometric information automatically extracted from figures. In this paper, we present a new approach to enrich the topological information by integrating spatial proximity in the topology graph, through the use of weights in adjacency links. Additionally, we developed a web search engine for clip art drawings, where we included the new technique. Experimental evaluation reveal that the use of topological proximity results in better retrieval results than topology alone.
Management of Primary and Recurrent Clostridium difficile Infection: An Update (2018)

<i>Clostridium difficile</i> infection (CDI) is one of the most common healthcare-associated infections (HAI) in the United States and Canada, and incidence rates have increased worldwide in recent decades. Currently, antibiotics are the mainstay treatments for both primary and recurrent CDI, but their efficacy is limited, prompting further therapies to be developed. <i>Aim:</i> This review summarizes current and emerging therapies in CDI management including antibiotics, fecal microbiota transplantation, monoclonal antibodies, spore-based therapies, and vaccinations.
Contributions of the Mac-1 glycoprotein family to adherence-dependent granulocyte functions: structure-function assessments employing subunit-specific monoclonal antibodies. (1986)

MAb directed at the alpha-subunits of Mac-1 (alpha M), LFA-1 (alpha L), p150,95 (alpha X), or their common beta-subunit were used to characterize the contributions of the Mac-1 glycoprotein family to granulocyte adherence reactions. Inhibitory effects of these MAb in incubation experiments with normal granulocytes indicated distinct adhesive contributions of each subunit. Significantly greater adherence, and inhibition of adherence by anti alpha M, alpha X, and beta MAb, was observed under chemotactic conditions designed to "up-regulate" the surface expression of the alpha M beta and alpha X beta complexes. Adherence to protein-coated glass and binding of albumin-coated latex beads were significantly inhibited by anti-beta greater than anti-alpha M (OKM-10, M1/70, LM2/1.6 and OKM-1) greater than anti-alpha X greater than anti-alpha L MAb, but no effects of anti-HLA, AB, or anti-CR-1 MAb were evident. A similar rank order of inhibition was observed in granulocyte aggregation assays in response to C5a, PMA, or f-Met-Leu-Phe. Significant inhibition of directed migration by anti-beta or anti-alpha M (OKM-1 or OKM-10) MAb was observed in subagarose but not Boyden chemotaxis assays; inhibition was dependent on a continuous cell exposure to anti-Mac-1 alpha or beta during the assay, suggesting that a continuum of new Mac-1 expression is required for directed translocation. Phagocytosis of Oil-Red-O paraffin or zymosan selectively opsonized with C3-derived ligands was significantly inhibited by anti-alpha M MAb (OKM-10 greater than LM2/1.6 greater than M1/70 greater than OKM-1) or by combinations of anti-alpha M + anti-CR-1 MAb, but only minimal inhibitory effects of anti-beta MAb and no effects of anti-alpha L or anti-alpha X MAb were seen. Similarly, complement-dependent phagocytosis-associated lactoferrin release, ingestion, and intracellular killing of Staphylococcus aureus 502A, and binding of iC3b-opsonized SRBC, were significantly inhibited by anti-alpha M (OKM-10, M1/70) or combinations of anti-alpha M + anti-CR-1 MAb, but not by anti-beta, alpha L, or alpha X MAb. Notably, none of the anti-Mac-1 MAb demonstrated inhibitory effects in assays of adherence-independent functions including shape change, specific f-Met-Leu-3H-Phe binding, O-2 generation, chemiluminescence evolution, or lactoferrin release in response to PMA.(ABSTRACT TRUNCATED AT 400 WORDS)
Expression of EphB4 in Head and Neck Squamous Cell Carcinoma (2003)

EphB4 is a receptor tyrosine kinase that is expressed on epithelial cells during fetal life. It is also expressed on some venous endothelial cells. We conducted a study of six men with primary squamous cell carcinoma of the head and neck (HNSCC) that had metastasized to the cervical lymph nodes. Our goal was to determine if EphB4 is aberrantly expressed in cases of HNSCC and to determine if there is a qualitative difference between the expression of EphB4 on primary and metastatic tumors and its expression on normal mucosa adjacent to primary tumors. From each patient, we obtained specimens of the primary tumor, the nodal metastasis, and the adjacent normal mucosa, and we performed immunocytochemistry on each. We observed EphB4 expression in all primary and metastatic tumors and no expression in the normal tissue. In each of the six patients, expression was greater in the metastatic tumor than in the primary tumor. We conclude that EphB4 is a novel target in the treatment of HNSCC.
An Adaptive Nonlinear Least Square Algorithm (1977)

NL2SOL is a modular program for solving the nonlinear least-squares problem that incorporates a number of novel features. It maintains a secant approximation S to the second-order part of the least-squares Hessian and adaptively decides when to use this approximation. We have found it very helpful to "size" S before updating it, something which looks much akin to Oren-Luenberger scaling. Rather than resorting to line searches or Levenberg-Marquardt modifications, we use the double-dogleg scheme of Dennis and Mei together with a special module for assessing the quality of the step thus computed. We discuss these and other ideas behind NLZSOL and briefly describe its evolution and current implementation.
The 16-kilodalton N-terminal fragment of human prolactin is a potent inhibitor of angiogenesis. (1993)

The formation of a new blood supply, angiogenesis, is an essential component of carcinogenesis and unrestricted tumor growth. A substance capable of inhibiting angiogenesis would be of considerable therapeutic potential in the treatment of cancer. We previously reported that the 16-kilodalton N-terminal fragment of rat PRL (16K rPRL) was a potent inhibitor of capillary endothelial cell proliferation via a novel receptor. We now report that the nanomolar concentrations of recombinant human 16K PRL inhibit basal and basic fibroblast growth factor- or vascular endothelial growth factor-stimulated growth of bovine brain capillary endothelial cells. 16K human (h) PRL also inhibits stimulation of human umbilical vein endothelial cell proliferation by basic fibroblast growth factor. The organization of endothelial cells into capillary-like structures in type I collagen gels is also prevented by 16K hPRL. Furthermore, in an in vivo assay, the chick embryo chorioallantoic membrane assay, 16K hPRL as well as 16K rPRL were potent inhibitors of capillary formation. 16K hPRL, like 16K rPRL, maintains its biological activity as a partial PRL agonist at PRL receptors on mammary gland epithelial cells. These data demonstrate for the first time that the biological activity of 16K rPRL is not unique and that similar fragments of hPRL are active. The antiangiogenic activity of these molecules is conserved across avian and mammalian species. That 16K hPRL is a potent antiangiogenic factor in in vitro and an in vivo assay raises the exciting potential of this peptide being capable of inhibiting tumor growth.
Changes in the Epidemiology of Thalassemia in North America: A New Minority Disease (2005)

The epidemiology of thalassemia in North America reflects a heterogeneous group of diseases with new ethnicities, genotypes, and phenotypes. In these communities, physicians will need to provide education, prenatal diagnosis, counseling, and management of this newly diverse group of patients.
Microalbuminuria Reduction With Valsartan in Patients With Type 2 Diabetes Mellitus (2002)

Background — Elevated urine albumin excretion (UAER) is a modifiable risk factor for renal and cardiovascular disease in type 2 diabetes. Blockade of the renin-angiotensin system lowers UAER, but whether this effect is independent of blood pressure (BP) reduction remains controversial. The MicroAlbuminuria Reduction With VALsartan (MARVAL) study was designed to evaluate the BP-independent effect of valsartan on UAER in type 2 diabetic patients with microalbuminuria. Methods and Results — Three hundred thirty-two patients with type 2 diabetes and microalbuminuria, with or without hypertension, were randomly assigned to 80 mg/d valsartan or 5 mg/d amlodipine for 24 weeks. A target BP of 135/85 mm Hg was aimed for by dose-doubling followed by addition of bendrofluazide and doxazosin whenever needed. The primary end point was the percent change in UAER from baseline to 24 weeks. The UAER at 24 weeks was 56% (95% CI, 49.6 to 63.0) of baseline with valsartan and 92% (95% CI, 81.7 to 103.7) of baseline with amlodipine, a highly significant between-group effect ( P &lt;0.001). Valsartan lowered UAER similarly in both the hypertensive and normotensive subgroups. More patients reversed to normoalbuminuria with valsartan (29.9% versus 14.5%; P =0.001). Over the study period, BP reductions were similar between the two treatments (systolic/diastolic 11.2/6.6 mm Hg for valsartan, 11.6/6.5 mm Hg for amlodipine) and at no time point was there a between-group significant difference in BP values in either the hypertensive or the normotensive subgroup. Conclusions — For the same level of attained BP and the same degree of BP reduction, valsartan lowered UAER more effectively than amlodipine in patients with type 2 diabetes and microalbuminuria, including the subgroup with baseline normotension. This indicates a BP-independent antiproteinuric effect of valsartan.
L -acetylcarnitine causes rapid antidepressant effects through the epigenetic induction of mGlu2 receptors (2013)

Epigenetic mechanisms are involved in the pathophysiology of depressive disorders and are unique potential targets for therapeutic intervention. The acetylating agent L-acetylcarnitine (LAC), a well-tolerated drug, behaves as an antidepressant by the epigenetic regulation of type 2 metabotropic glutamate (mGlu2) receptors. It caused a rapid and long-lasting antidepressant effect in Flinders Sensitive Line rats and in mice exposed to chronic unpredictable stress, which, respectively, model genetic and environmentally induced depression. In both models, LAC increased levels of acetylated H3K27 bound to the Grm2 promoter and also increased acetylation of NF-ĸB-p65 subunit, thereby enhancing the transcription of Grm2 gene encoding for the mGlu2 receptor in hippocampus and prefrontal cortex. Importantly, LAC reduced the immobility time in the forced swim test and increased sucrose preference as early as 3 d of treatment, whereas 14 d of treatment were needed for the antidepressant effect of chlorimipramine. Moreover, there was no tolerance to the action of LAC, and the antidepressant effect was still seen 2 wk after drug withdrawal. Conversely, NF-ĸB inhibition prevented the increase in mGlu2 expression induced by LAC, whereas the use of a histone deacetylase inhibitor supported the epigenetic control of mGlu2 expression. Finally, LAC had no effect on mGlu2 knockout mice exposed to chronic unpredictable stress, and a single injection of the mGlu2/3 receptor antagonist LY341495 partially blocked LAC action. The rapid and long-lasting antidepressant action of LAC strongly suggests a unique approach to examine the epigenetic hypothesis of depressive disorders in humans, paving the way for more efficient antidepressants with faster onset of action.
The Christian-Buddhist Life and Works of Dwight Goddard (1996)

In 1932, Dwight Goddard introduced a collection of Mahayana Buddhist texts translated from the Chinese. This collection, entitled A Buddhist Bible, has helped introduce many Americans to Mahayana. The publication of the texts marked the end of a fascinat- ing journey on the part of Goddard from engineer, to Christian mis- sionary and minister, to student, to practitioner of Zen Buddhism. The best record of this journey is Goddard's own writings. A serious obstacle to gaining familiarity with Mahayana Buddhism in the West has been the complexity and quantity of Buddhist Scriptures. As a consequence, Westerners are much more familiar with the Pali texts of the Theravada tradition since they are fewer, are better ordered, and have been systematically translated by the Pali Text Society in London. Nevertheless, in 1932, Dwight Goddard introduced a seminal collection of Mahayana texts translated from the Chinese entitled A Buddhist Bible that has helped introduce many Americans-including the Beat Generation through writer Jack Kerouac-to Mahayana. Now, sixty-three years later, Beacon Press has reissued the book with a foreword and a bibliography, both of which I put together after researching Dwight Goddard's life. Goddard was an engineer but, after the death of his wife, entered Hart- ford Theological Seminary in 1891 at the age of twenty-nine. He was or- dained in 1894 and was sent to China as a Congregational missionary. There
Research on the Problem of MC Assembly Line Balancing Based on Genetic Algorithm (2006)

This DOI is not currently attached to any metadata records. DOIs can’t actually ever be deleted (they’re persistent), but sometimes our members create DOIs in error. We do have a process to approximate deletion which we follow only in rare cases where the DOI has been genuinely created in error, and most crucially, if the DOI has never been published anywhere online or in print and never otherwise distributed to or communicated with anyone (authors, readers, reviewers, etc.
Glomerular expression of monocyte chemoattractant protein-1 in experimental and human glomerulonephritis. (1994)

These data support a role for MCP-1 in the pathogenesis of glomerular inflammation.
ChemInform Abstract: SYNTHESIS AND PHARMACOLOGICAL ACTIVITY OF 3‐SUBSTITUTED PYRIDO(3′,2′:4,5)THIENO(3,2‐D)PYRIMIDIN‐4(3H)‐ONES (1984)

A series of 3-substituted pyridothienopyrimidin-4(3H)-ones has been synthesized from 2,7,9-trimethyl-4H-pyrido[3',2':4,5]thieno-[3,2-d] [ 1,3]oxazin-4-one. These compounds have been evaluated for analgesic, anti-inflammatory and antipyretic activities. The ulcerogenic effect of the compounds has been also studied.
The arginine regulon of Escherichia coli: whole-system transcriptome analysis discovers new genes and provides an integrated view of arginine regulation (2006)

Analysis of the response to arginine of the Escherichia coli K-12 transcriptome by microarray hybridization and real-time quantitative PCR provides the first coherent quantitative picture of the ArgR-mediated repression of arginine biosynthesis and uptake genes. Transcriptional repression was shown to be the major control mechanism of the biosynthetic genes, leaving only limited room for additional transcriptional or post-transcriptional regulation. The art genes, encoding the specific arginine uptake system, are subject to ArgR-mediated repression, with strong repression of artJ, encoding the periplasmic binding protein of the system. The hisJQMP genes of the histidine transporter (part of the lysine-arginine-ornithine uptake system) were discovered to be a part of the arginine regulon. Analysis of their control region with reporter gene fusions and electrophoretic mobility shift in the presence of pure ArgR repressor showed the involvement in repression of the ArgR protein and an ARG box 120 bp upstream of hisJ. No repression of the genes of the third uptake system, arginine-ornithine, was observed. Finally, comparison of the time course of arginine repression of gene transcription with the evolution of the specific activities of the cognate enzymes showed that while full genetic repression was achieved 2 min after arginine addition, enzyme concentrations were diluted at the rate of cell division. This emphasizes the importance of feedback inhibition of the first enzymic step in the pathway in controlling the metabolic flow through biosynthesis in the period following the onset of repression.
Aberrant serum hyaluronan and hyaluronidase levels in scleroderma (2004)

We have confirmed that circulating levels of HA are elevated in scleroderma, but show for the first time that such elevations occur predominantly in early-stage disease. Patients with late-stage disease have decreased serum Hyal-1 activity, perhaps reflecting decreased levels of HA turnover. This study also represents the first time that hyaluronidase activity levels have been determined in scleroderma patients.
Clinical Trials and Applications of Galectin Antagonists (2018)

Galectins comprise a relatively large family of carbohydrate-binding proteins that recognize and bind to β-D-galactoside residues expressed on a variety of different molecules. Advances in the study of their biological activities demonstrate potential functions in cancer progression, inflammatory, immune, and fibrotic responses which have recently translated to target the galectins as novel therapeutic strategies to address unmet medical needs. This review will summarize the therapeutic applications of galectin antagonists to treat human diseases currently in clinical trials.
Surface Shape Resonances in Lamellar Metallic Gratings (1998)

The specular reflectivity of lamellar gratings of gold with grooves $0.5\ensuremath{\mu}\mathrm{m}$ wide separated by a distance of $3.5\ensuremath{\mu}\mathrm{m}$ was measured on the 2000-- $7000{\mathrm{cm}}^{\ensuremath{-}1}$ spectral range for p-polarized light. Experimental evidence of the excitation of electromagnetic surface shape resonances for optical frequencies is given. In these resonances the electric field is highly localized inside the grooves and is almost zero in all other regions. For grooves of depth equal to $0.6\ensuremath{\mu}\mathrm{m}$, we have analyzed one of these modes whose wavelength ( $3.3\ensuremath{\mu}\mathrm{m}$) is much greater than the lateral dimension of the grooves.