gebhart/patrepeval huggingface dataset:
Neue Silber-Tellurid Cluster stabilisiert mit zweizähnigen Phosphanen: Synthese und Struktur von {[Ag5(TePh)6(Ph2P(CH2)2PPh3)](Ph2P(CH2)2PPh2)}∞, [Ag18Te(TePh)15(Ph2P(CH2)3PPh2)3Cl] und [Ag38Te13(TetBu)12(Ph2P(CH2)2PPh2)3] (2001)

Zweizähnige Phosphanliganden haben sich als sehr effektiv zur Stabilisierung von mehrkernigen chalkogenverbrückten Silberclusterkernen erwiesen. Sie treten dabei teilweise als intra- oder intermolekulare Brückenliganden auf. Von den folgenden synthetisierten Clusterverbindungen wurden die Molekülstrukturen bestimmt: {[Ag5(TePh)6(Ph2P(CH2)2PPh3)](Ph2P(CH2)2PPh2)}∞ (1), [Ag18Te- (TePh)15(Ph2P(CH2)3PPh2)3Cl] (2) und [Ag38Te13(TetBu)12(Ph2P(CH2)2PPh2)6] (3). Während die Verbindungen 2 und 3 Molekülstrukturen mit isolierten Clusterkernen besitzen, findet man für 1 eine durch Phosphanliganden verbrückte polymere Kette. (1: Raumgruppe P21/c (Nr. 14), Z = 4, a = 3518,1(7) pm, b = 2260,6(5) pm, c = 3522,1(7) pm, β = 119,19(3)°; 2: Raumgruppe R3 (Nr. 148), Z = 6, a = b = 3059,4(4) pm, c = 5278,8(9) pm; 3: Raumgruppe Pccn (Nr. 56), Z = 4, a = 3613,0(9) pm, b = 3608,6(7) pm, c = 2153,5(8) pm) Novel Silver-Telluride Clusters Stabilised with Bidentate Phosphine Ligands: Synthesis and Structure of {[Ag5(TePh)6(Ph2P(CH2)2PPh3)](Ph2P(CH2)2PPh2)}∞, [Ag18Te(TePh)15(Ph2P(CH2)3PPh2)3Cl], and [Ag38Te13(TetBu)12(Ph2P(CH2)2PPh2)3] Bidentate phosphine ligands have been found effective to stabilise polynuclear cores containing silver and chalcogenide ligands. They can act as intra and intermolecular bridges between the silver centres. The clusters {[Ag5(TePh)6(Ph2P(CH2)2PPh3)](Ph2P(CH2)2PPh2)}∞ (1), [Ag18Te(TePh)15(Ph2P(CH2)3PPh2)3Cl] (2), and [Ag38Te13(TetBu)12(Ph2P(CH2)2PPh2)3] (3) have been prepared and their molecular structure determined. Compound 2 and 3 are molecular structures with separated cluster cores while 1 forms a polymeric chain bridged by phosphine ligands. (1: space group P21/c (No. 14), Z = 4, a = 3518,1(7) pm, b = 2260,6(5) pm, c = 3522,1(7) pm, β = 119,19(3)°; 2: space group R3 (No. 148), Z = 6, a = b = 3059,4(4) pm, c = 5278,8(9) pm; 3: space group Pccn (No. 56), Z = 4, a = 3613,0(9) pm, b = 3608,6(7) pm, c = 2153,5(8) pm)
Density functional theory investigation of Cu(I)‐ and Cu(II)‐curcumin complexes (2010)

Density functional theory is used to obtain the lowest energy geometries of bis-aqua curcumin complexes and bis-curcumin complexes of Cu(I) and Cu(II). Three conformations of curcumin, obtained by rotation of the substituted aromatic groups, were considered in each case. Steric repulsion, due to the methoxy–methoxy interactions, was found to be an important factor in determining the lowest energy conformer of Cu(II)(curcumin)2 but was less important for the Cu(I) analog. Using a sufficiently large basis set, the results show that the lowest energy Cu(II)(curcumin)2 geometry is square planar around the copper atom, in contrast to the results from a previous study (Shen et al. THEOCHEM-J Mol Struct 2005, 757, 199). In addition, other studies suggested that the formation of this complex is followed by the reduction of Cu(II) to Cu(I). We also examined the singly occupied molecular orbital, spin density, and natural bond orbitals of Cu(II)(curcumin)2. While the former two analyses show little evidence of electron transfer from curcumin into the Cu center, the latter indicates that Cu(II) is partially reduced to Cu(I) as a consequence of complexation. Finally, we consider the bis-aqua curcumin and bis-curcumin complexes on a reaction path involving progressive displacement of water molecules by curcumin ligands. The results show that the bis-curcumin complex is the most stable Cu(II) complex, showing consistently exothermic steps in the reaction path. However, for Cu(I), the final step in the reaction path is essentially thermoneutral, indicating that the 1:1 and 1:2 Cu(I) complexes are equally stable thermodynamically.
Phase 1 study of CA-4948, a novel inhibitor of interleukin-1 receptor-associated kinase 4 (IRAK4) in patients (pts) with r/r non-Hodgkin lymphoma. (2019)

e19055 Background: IRAK4 is a signaling modulator of Toll-like receptors (TLRs) and members of the IL-1R family. TLR/IL-1R activity is frequently dysregulated in NHL, including DLBCL and Waldenström macroglobulinemia (WM). CA-4948, an oral inhibitor of IRAK4, has demonstrated anti-tumor activity in preclinical models. Methods: Dose finding cohorts (3+3 design) will test QD or BID dosing schedule in pts with R/R NHL. Dose expansion will occur in 2 cohorts of R/R NHL with or without MYD88 mutation at the RP2D or MTD. Key eligibility criteria: age ≥ 18 years, ECOG ≤1, and adequate organ function. Objectives: safety, MTD and RP2D (primary); PK and anti-tumor activity (secondary); exploratory biomarkers and PD effects. Plasma cytokine levels are being evaluated post ex-vivo TLR stimulation in whole blood. Results: 13 pts have been treated (6 at 50 mg QD; 3 at 100 mg QD; 4 at 50 mg BID). Tumor types included DLBCL (7), FL (5), WM (1). The most frequent treatment-emergent AEs (≥10% of pts) were fatigue (23%), conjunctivitis, constipation, neutrophil count decrease, white blood cell count decrease (each 15%). One pt treated at 100 mg QD experienced Gr 3 rash which resolved following oral steroid treatment; dose reduction to 50 mg QD was tolerated without flare up. One SAE of disease progression occurred. 9 pts completed the DLT evaluation period thru Cycle 2 including 2 ongoing in Cycle 4 and 6. Preliminary PK showed that CA-4948 is rapidly absorbed with maximum plasma concentration observed 1.0 to 4.0 hrs post administration. T 1/2 in plasma was about 6 hrs. Minimal to no accumulation was observed following multiple doses. Plasma exposures were dose proportional. Preliminary PD data showed, similar to murine studies, on target reduction of NF-kB-associated factors such as IL-6 post-treatment from pts with complete sample sets (N = 8). Conclusions: Current dose/schedule is well tolerated with preliminary PK and PD effects at the initial dose level. MTD has not been reached. Clinical trial information: NCT03328078.
3-HYDROXY BILE ACID DEHYDROGENASE FROM <i>ESCHERICHIA FREUNDII</i> (1960)

The utilization of bile acids as carbon sources by enteric bacteria has been frequently observed although the metabolic pathways of utilization have not been elaborated. One attempt in this direction has been reported by Halperin et al. (1954) who obtained the oxidation of cholic acid to 3-ketocholanic acid by the use of preparations of a species of Nocardia treated with a Hughes press. Earlier investigations of bile acid metabolism have been extensively reviewed by Haslewood (1955). Preliminary experiments had established that soluble extracts of Escherichia freundii can carry out the reversible dehydrogenation of a group of 3a-hydroxy bile acids (Hayaishi et al., 1955; Jakoby and Tomkins, 1956). The present report is an account of the partial purification and characterization of an enzyme, 3-hydroxy bile acid dehydrogenase, which catalyzes the following reaction :2
A Density Metric for Semiconductor Technology [Point of View] (2020)

Since its inception, the semiconductor industry has used a physical dimension (the minimum gate length of a transistor) as a means to gauge continuous technology advancement. This metric is all but obsolete today. As a replacement, we propose a density metric, which aims to capture how advances in semiconductor device technologies enable system-level benefits. The proposed metric can be used to gauge advances in future generations of semi-conductor technologies in a holistic way, by accounting for the progress in logic, memory, and packaging/integration technologies simultaneously.
Knockout of Lysosomal Enzyme-Targeting Gene Causes Abnormalities in Mouse Pup Isolation Calls (2017)

Humans lacking a working copy of the <i>GNPTAB</i> gene suffer from the metabolic disease Mucolipidosis type II (MLII). MLII symptoms include mental retardation, skeletal deformities and cartilage defects as well as a speech delay with most subjects unable to utter single words (Otomo et al., 2009; Cathey et al., 2010; Leroy et al., 2012). Here we asked whether mice lacking a copy of Gnptab gene exhibited vocal abnormities. We recorded ultrasonic vocalizations from 5 to 8 day old mice separated from their mother and littermates. Although <i>Gnptab</i><sup>-/-</sup> pups emitted a similar number of calls, several features of the calls were different from their wild type littermates. <i>Gnptab</i><sup>-/-</sup> mice showed a decrease in the length of calls, an increase in the intra-bout pause duration, significantly fewer pitch jumps with smaller mean size, and an increase in the number of isolated calls. In addition, <i>Gnptab</i><sup>-/-</sup> mice vocalizations had less power, particularly in the higher frequencies. <i>Gnptab</i><sup>+/-</sup> mouse vocalizations did not appear to be affected. We then attempted to classify these recordings using these features to determine the genotype of the animal. We were able to correctly identify 87% of the recordings as either <i>Gnptab</i><sup>-/-</sup> or <i>Gnptab</i><sup>+/+</sup> pup, significantly better than chance, demonstrating that genotype is a strong predictor of vocalization phenotype. These data show that deletion of genes in the lysosomal enzyme targeting pathway affect mouse pup isolation calls.
Rnavlab 2.0: combining web applications, grid computing, and dynamic programming to overcome resource limitations in RNA secondary structure analysis (2010)

it means to be a good father and husband, my Mother, Rosa
My patient has abdominal and flank pain: Identifying renal causes (2015)

Acute flank and abdominal pain are common presenting complaints in the emergency department. With increasing access to point-of-care ultrasound (PoCUS), emergency physicians have an added tool to help identify renal problems as a cause of a patient's pain. PoCUS for hydronephrosis has a sensitivity of 72-83.3% and a varying specificity, similar to radiology-performed ultrasonography. In addition to assessment for hydronephrosis, PoCUS can help emergency physicians to exclude other serious causes of flank and abdominal pain such as the presence of an abdominal aortic aneurysm, or free fluid in the intraperitoneal space, which could represent hemorrhage. Use of PoCUS for the assessment of flank pain has resulted in more rapid diagnosis, decreased use of computed tomography, and shorter emergency department length of stay.
Protein Folding (2003)

Abstract The process of protein folding is one of the most significant mechanisms in biology. In spite of its great importance, this process is not fully understood and a final folded structure of a protein cannot be predicted from its amino acid sequence. In this article the experimental and theoretical advances in the study of protein folding are discussed. A conceptual milestone in the understanding of protein folding is the “thermodynamic theory,” establisted by Christian A. Anfinsen in the 1950s and early 1960s. The thermodynamic hypothesis suggested that a particular three‐dimensional structure of a protein occurs because this certain molecular arrangement is the most stable thermodynamically. Another key insight regarding the mechanism of protein folding is the “Levinthal's paradox.” This paradox indicates that it is not possible for a folding protein to sample the entire conformational space during the process, and a certain folding pathway should exist. This was further developed into an energy landscape view of the folding process and into computational attempts to understand and predict the folding process. A major medical concern is related to cases of incorrect protein folding or “misfolding.” Recent studies pave new ways into true understanding of the process and ways of its control.
Venting guidelines for Category 1 gas appliances with fan-assisted combustion systems. Topical report, June 1988-December 1991 (1992)

In recent years, furnace manufacturers have been developing new, higher efficiency Category 1 furnaces that do not have draft hoods or draft diverters, but instead use fan-assisted combustion systems. These Category 1 fan-assisted furnaces still rely on the natural draft created by the buoyancy of the warm combustion products for venting. As part of its program on Venting, GRI is providing technical support concerning the venting of Category 1 gas appliances with fan-assisted combustion systems. These venting guidelines and sizing tables are based on limiting the condensation and pressurization of a vent system attached to a Category 1 fan-assisted appliance. These guidelines cover either the venting of a single Category 1 fan-assisted appliance or the common venting of any combination of Category 1 fan-assisted and draft hood-equipped appliances.
Structural heterogeneity of the axonemes of respiratory cilia and sperm flagella in normal men. (1985)

The ultrastructure of normal human cilia and flagella was examined and quantitatively assessed to determine the normal variations in the structure of the axoneme. Ciliated respiratory epithelial cells and spermatozoa from 10 normal, nonsmoking male volunteers who had normal semen parameters were fixed for electron microscopy. Tannic acid and MgSO4 were included during fixation to enhance, in particular, axonemal components. In 75 axonemal cross sections per sample, the number of outer doublet and central singlet microtubules, outer and inner dynein arms, and radial spokes were recorded. Statistical analysis of the results showed a marked reduction, from the expected value of nine, in the numbers of inner dynein arms (mean +/- SE, cilia, 5.31 +/- 0.13; sperm, 5.38 +/- 0.16) and radial spokes (cilia, 4.95 +/- 0.22; sperm, 5.80 +/- 0.19). The ideal axoneme with all its structural components was seen in only 0.13% of cilia and 0.80% of sperm tails. Significantly more doublet microtubules (P less than 0.05) and less central microtubules (P less than 0.01) and radial spokes (P less than 0.01) were seen in cilia than in sperm tail axonemes. Between subjects there was little variation in the mean number of a structure seen per axoneme. However, within each sample, the variation was considerably higher, particularly for the inner and outer dynein arms and radial spokes. The doublet microtubules had significantly greater standard deviations in the sperm tails compared with the cilia (P less than 0.01), and furthermore, a significantly greater number of sperm tails compared with cilia showed the incorrect number of doublet microtubules (P less than 0.02). In one semen sample, with normal semen analysis, 20% of the sperm tails showed incorrect numbers of doublet microtubules, ranging from 12 + 2 to 5 + 2 compared with only 1.3% in cilia from this subject. This study has demonstrated that the ideal axoneme is rarely seen even in normal samples, probably because of the technical difficulties in resolution and visualization, and stresses the need for thorough documentation of axonemal ultrastructure. This work provides a normal data base for comparison with patients who have chronic respiratory disease and suspected infertility.
An Apolipoprotein AI Mimetic Peptide:  Membrane Interactions and the Role of Cholesterol<sup>,</sup> (2004)

The 18-amino acid amphipathic helical peptide Ac-DWFKAFYDKVAEKFKEAF-NH(2) promotes the separation of cholesterol from the phospholipid, resulting in the formation of cholesterol crystallites, even at mole fractions of cholesterol as low as 0.3. The peptide exerts a greater degree of penetration into membranes of pure phosphatidylcholine in the absence of cholesterol than into bilayers of phosphatidylcholine and cholesterol. The circular dichroism spectrum of the peptide in buffer indicates that it self-associates, leading to the formation of structures with higher helical content. However, in the presence of lipid, the peptide remains helical over a larger concentration range. The peptide undergoes a thermal transition on heating. Cholesterol has little effect on the secondary structure of the peptide; however, increased Trp emission intensity in the absence of cholesterol indicates a deeper penetration of the helix upon removal of cholesterol from the membrane. The results with these model systems demonstrate changes in peptide-lipid interactions that may be related to the observed biological properties of this peptide.
Proposed Mechanisms for the Formation of Synthetic and Naturally Occurring Metabolites of Lycopene in Tomato Products and Human Serum (1998)

Oxidation of lycopene (I) with m-chloroperbenzoic acid has been previously shown to yield lycopene 1,2-epoxide (II) and lycopene 5,6-epoxide (III) as major products and lycopene 1,2;5,6-diepoxide (IV), lycopene 1,2;5‘,6‘-diepoxide (V), lycopene 5,6;5‘,6‘-diepoxide (VI), and lycopene 1,2;1‘,2‘-diepoxide (VII) as minor products. Similarly, the acid-catalyzed rearrangement products of these epoxides have been identified as 2,6-cyclolycopene-1,5-epoxide A (VIII) and B (IX), 2,6-cyclolycopene-1,5-diol A (X) and B (XI), 1,16-didehydro-2,6-cyclolycopen-5-ol (XII), and lycopene 1,6;2,5-diepoxide (XIII). On the basis of the stereochemistry of the observed products (VIII−XI), here, it is proposed that the acid-catalyzed rearrangement of lycopene 5,6-epoxide may be proceeded by SN1- and/or SN2-type mechanisms, whereas an SN2-type mechanism is preferred for the rearrangement of lycopene 1,2-epoxide. Details of the acid-catalyzed rearrangement of lycopene epoxides by SN1- and SN2-type reactions are presented. Although II and VII−XI are present in tomato products at low concentrations, only X and XI are found in human serum. Possible pathways leading to the formation of the synthetic compounds and the oxidative metabolites of lycopene in tomato products and human serum are discussed. Keywords: 1,16-Didehydro-2,6-cyclolycopen-5-ol; 2,6-cyclolycopene-1,5-diol; 2,6-cyclolycopene-1,5-epoxide; lycopene 1,6;2,5-diepoxide; lycopene 1,2-epoxide; lycopene 5,6-epoxide; lycopene oxidation products; new serum carotenoids; carotenoid metabolites
Quantitative magnetization transfer imaging using balanced SSFP (2008)

It is generally accepted that signal formation in balanced steady-state free precession (bSSFP) is a simple function of relaxation times and flip angle only. This can be confirmed for fluids, but for more complex substances, magnetization transfer (MT) can lead to a considerable loss of steady-state signal. Thus, especially in tissues, the analytical description of bSSFP requires a revision to fully take observed effects into account. In the first part of this work, an extended bSSFP signal equation is derived based on a binary spin-bath model. Based on this new model of bSSFP signal formation, quantitative MT parameters such as the fractional pool size, corresponding magnetization exchange rates, and relaxation times can be explored. In the second part of this work, model parameters are derived in normal appearing human brain. Factors that may influence the quality of the model, such as B(1) field inhomogeneities or off-resonances, are discussed. Overall, good correspondence between parameters derived from two-pool bSSFP and common quantitative MT models is observed. Short repetition times in combination with high signal-to-noise ratios make bSSFP an ideal candidate for the acquisition of high resolution isotropic quantitative MT maps, as for the human brain, within clinically feasible acquisition times.
Miscellaneous. Beszámoló. KVÍZ (2014)

Beszámoló. „Természetes eredetű \nhatóanyagok \na modern orvoslásban” \nOrszágos Konferencia\nBudapest, 2013. november 6–7. | EuroGentest workshop: \nValidation of diagnostic \ntests in clinical molecular \ngenetics\nEuroGentest klinikai \nmolekuláris genetikai tesztek \nvalidációs tanfolyama\nAthén, 2013. november 21–22.
Anti-inflammatory and antioxidant activity of<i>Ficus carica</i>Linn. leaves (2011)

Ficus carica Linn. (Moraceae) is commonly known as edible fig. The leaves, roots, fruits and latex of the plant are medicinally used in different diseases. The leaves are claimed to be effective in various inflammatory conditions like painful or swollen piles, insect sting and bites. However, there has been no report on anti-inflammatory and antioxidant activity of F. carica leaves. Therefore the aim of this study was to evaluate the anti-inflammatory and antioxidant activity of F. carica leaves. Our study validated the traditional claim with pharmacological data. Anti-inflammatory and antioxidant activity of the drug could be due to the presence of steroids and flavanoids, respectively, which are reported to be present in the drug. Furthermore, the anti-inflammatory activity of the drug could be due to its free radical scavenging activity. Further work is also required to isolate and characterise the active constituents responsible for the anti-inflammatory activities.
Stereoselective Nucleophilic Trifluoromethylation ofN-(tert-Butylsulfinyl)imines by Using Trimethyl(trifluoromethyl)silane (2001)

Eine sehr allgemein anwendbare Reaktion für den nucleophilen Transfer von „CF3“ auf chirale N-(tert-Butylsulfinyl)imine wird vorgestellt, die sich durch hohe Ausbeuten und eine hohe Stereoselektivität auszeichnet (siehe Reaktionsschema). (Tetrabutylammonium)difluortriphenylsilicat (TBAT) fungiert als Fluoridquelle, und aromatische, heterocyclische sowie aliphatische Sulfinylimine reagieren glatt. Die hohe Stereoselektivität spricht dafür, dass die Reaktion über einen offenen Übergangszustand verläuft.
Synthese von Heterocyclen durch CC‐Knüpfung. IV. Heterocyclensynthesen durch intramolekulare Dien‐Reaktion (1982)

Synthesis of Heterocyclic Compounds by CC‐bond Closure. IV. Synthesis of Heterocyclic Compounds by Intramolecular Dienreaction N‐2‐Cyclohexenyl‐N‐isopropylcinnamamide 8 cyclizes at 230°C to give the decahydronaphthindolone 9 . N‐Alkyl‐N‐allylcinnamamides 10 analogously form 1 H‐hexahydrobenzisoindolones 11 . N‐Alkyl‐N‐allylsorbamides 14 cyclize at 150°C to 1 H‐hexahydroisoindolones 15 . 15b yields the cyclic enamide 16 by alkali catalyzed shift of the double bond. Tricyclic lactames 19 and 20 are formed by thermal isomerization of N‐cycloalkenylsorbamides 18a and 18b , respectively.
CUAJ implements early releases (2011)

Siemens is an outstanding young clinician scientist with broad interests, high energy, and a great track record.We are delighted that he has agreed to take on this important responsibility.In the next few months
Fundamental Research on the Cold-Roll Forming of Metal Strips (1964)

The experimental and the theoretical researchs were performed on the cold-roll forming of metal strips to the cross section of circular arc through a set of the upper roll and the lower. From the experiment, it was found that the membraneous strain in the strip was negligibly small as compared with the bending strain. Therefore, the cold-roll forming was treated as a biaxial bending problem. The roll force and torque were analyzed by means of the strain energy method. The theoretical results were in good agreement with the experimental results.
Tuesday, December 20, 1709. STEELE (2015)

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