gebhart/patrepeval huggingface dataset:
Urea Decomposition Mechanism by Dinuclear Nickel Complexes (2023)

Urease is an enzyme containing a dinuclear nickel active center responsible for the hydrolysis of urea into carbon dioxide and ammonia. Interestingly, inorganic models of urease are unable to mimic its mechanism despite their similarities to the enzyme active site. The reason behind the discrepancy in urea decomposition mechanisms between inorganic models and urease is still unknown. To evaluate this factor, we synthesized two <i>bis</i>-nickel complexes, [Ni<sub>2</sub>L(OAc)] (1) and [Ni<sub>2</sub>L(Cl)(Et<sub>3</sub>N)<sub>2</sub>] (2), based on the Trost <i>bis</i>-Pro-Phenol ligand (L) and encompassing different ligand labilities with coordination geometries similar to the active site of jack bean urease. Both mimetic complexes produced ammonia from urea, (1) and (2), were ten- and four-fold slower than urease, respectively. The presence and importance of several reaction intermediates were evaluated both experimentally and theoretically, indicating the aquo intermediate as a key intermediate, coordinating urea in an outer-sphere manner. Both complexes produced isocyanate, revealing an activated water molecule acting as a base. In addition, the reaction with different substrates indicated the biomimetic complexes were able to hydrolyze isocyanate. Thus, our results indicate that the formation of an outer-sphere complex in the urease analogues might be the reason urease performs a different mechanism.
Diagnostic accuracy of CD4 cell count increase for virologic response after initiating highly active antiretroviral therapy (2006)

CD4 cell count increase after initiating HAART has only moderate discriminative ability in identifying patients with an undetectable viral load, and the predictive ability is higher [corrected] in patients with lower baseline CD4 cell counts. Although HIV treatment programs in resource-constrained settings could consider the use of CD4 cell count increases to triage viral load testing, more accurate approaches to monitoring virologic failure are urgently needed.
Non-Steroidal Anti-inflammatory Drugs As Host-Directed Therapy for Tuberculosis: A Systematic Review (2017)

Lengthy, antimicrobial therapy targeting the pathogen is the mainstay of conventional tuberculosis treatment, complicated by emerging drug resistances. Host-directed therapies, including non-steroidal anti-inflammatory drugs (NSAIDs), in contrast, target host factors to mitigate disease severity. In the present Systematic Review, we investigate whether NSAIDs display any effects as therapy of TB and discuss possible mechanisms of action of NSAIDs as adjunctive therapy of TB. Ten studies, seven preclinical studies in mice and three clinical trials, were included and systematically reviewed. Our results point toward a beneficial effect of NSAIDs as adjunct to current TB therapy regimens, mediated by decreased lung pathology balancing host-immune reaction. The determination of the best timing for their administration in order to obtain the potential beneficial effects needs further investigation. Even if the preclinical evidence requires clinical evaluation, NSAIDs might represent a potential safe, simple, and cheap improvement in therapy of TB.
Cross-ancestry, cell-type-informed atlas of gene, isoform, and splicing regulation in the developing human brain (2023)

Genomic regulatory elements active in the developing human brain are notably enriched in genetic risk for neuropsychiatric disorders, including autism spectrum disorder (ASD), schizophrenia, and bipolar disorder. However, prioritizing the specific risk genes and candidate molecular mechanisms underlying these genetic enrichments has been hindered by the lack of a single unified large-scale gene regulatory atlas of human brain development. Here, we uniformly process and systematically characterize gene, isoform, and splicing quantitative trait loci (xQTLs) in 672 fetal brain samples from unique subjects across multiple ancestral populations. We identify 15,752 genes harboring a significant xQTL and map 3,739 eQTLs to a specific cellular context. We observe a striking drop in gene expression and splicing heritability as the human brain develops. Isoform-level regulation, particularly in the second trimester, mediates the greatest proportion of heritability across multiple psychiatric GWAS, compared with eQTLs. Via colocalization and TWAS, we prioritize biological mechanisms for ~60% of GWAS loci across five neuropsychiatric disorders, nearly two-fold that observed in the adult brain. Finally, we build a comprehensive set of developmentally regulated gene and isoform co-expression networks capturing unique genetic enrichments across disorders. Together, this work provides a comprehensive view of genetic regulation across human brain development as well as the stage-and cell type-informed mechanistic underpinnings of neuropsychiatric disorders.
Effect of Exercise on Serum Granulysin, a Novel Marker of NK Cells (2004)

1752 PURPOSE: Granulysin has been identified as an effector molecule in the cytotoxic granules of natural killer cells (NK). Although granulysin is absent in the serum of NK deficient patient, it gradually increases after bone-marrow transplantation treatment. The aim of the present study was to clarify the effect of acute bout of exercise and exercise training on serum granulysin. METHODS: Eight young healthy men and a woman at the age of 25.2+/−4.2 y.o. participated in the first study to test the effect of acute exercise on serum granulysin. They run to exhaustion on a treadmill with incremental graded exercise protocol. Peripheral blood samples were collected before, immediately after, and 1 hour after the exercise. An aliquot was subjected to blood cell counting and flow cytometric analysis for NK cell subsets (CD3-CD56+: NK cells; CD3+CD56+: NKT cells). Serum granulysin level was measured by ELISA. For long term effect of exercise training, serum level of granulysin was evaluated in a group of 63 elderly subjects, who went through a weekly strength training class for 5 months, 3 month before blood sampling among 956 elderly subjects at the age of 75.7+/−4.8 y.o. who attended comprehensive geriatric assessment in Tsrugaya area, Sendai. RESULTS: Serum granulysin significantly increased immediately after exercise by 1.35 fold and returned to baseline 1 hour after exercise. NK cells increased by 6.41 fold and decreased to 0.4 fold 1 hour after exercise. NKT cells increased by 4.28 fold and decreased to 0.54 fold 1 hour after exercise. Although acute exercise bout induced a rapid increase in the circulating number of NK cells, it had only a small influence on serum granulysin. Average serum granulysin was 1.801ng/ml in the elderly population in Tsurugaya and 1.807ng/ml in the 63 subjects who underwent weekly strength training progam, suggesting there is little influence of exercise trainign on serum granulysin level CONCLUSIONS: Neither acute exhausting exercise nor 5 month of strength training induced a substantial change in serum granulysin, suggesting that the total pool of NK cells is unaffected by both acute and chronic exercise
Monitoring reproductive health in Europe--what are the best indicators of reproductive health? (2006)

Setting up goals to monitor if the goals are achieved and to compare health performance over time and between regions is part of modern health care. A key part in this process is to choose the right indicators. The indicators in reproductive health should be selected on the basis of relevance and validity. They should be simple and action oriented because monitoring for the sake of monitoring alone may do more harm than good. We invite comments from the readers of Human Reproduction on a set of indicators suggested by Reprostat.
Viscous Flow in Amorphous Alloys (1990)

Viscous flow experiments are performed on Fe81B13.5Si3.5C2, Ni78Si8B14, Co66Fe4Mo2Si16B12, and Co73Fe4B12Si11 glasses, using continuous heating methods. The minimum viscosity ηmin, the glass transition temperature Tg, and the crystallization onset temperature Tx were obtained as a function of applied stress σ and heating rate q. The activation energy Eη for viscous flow and the activation energy Ex for crystallization are also derived for the glasses under study. Experimente an viskosen Flüssigkeiten werden an Fe81B13.5Si3,5C2-, Ni78Si8B14-, Co66Fe4Mo2Si16B12-und Co73Fe4B12Si11-Gläsern mittels Aufheizmethode durchgeführt. Das Minimum der Viskosität ηmin, die Glasübergangstemperatur Tg und die Einsatztemperatur der Kristallisation Tx werden als Funktionen der angelegten Spannung σ und der Heizrate q erhalten. Die Aktivierungsenergie Eη für viskoes Fließen und die Aktivierungsenergie Ex für Kristallisation werden für die untersuchten Gläser ebenfalls abgeleitet.
Data on the Web: From Relations to Semistructured Data and XML (1999)

1 Introduction 2 A Syntax for Data 3 XML 4 Query Languages 5 Query Languages for XML 6 Interpretation and advanced features 7 Typing semistructured data 8 Query Processing 9 The Lore system 10 Strudel 11 Database products supporting XML
Sampling signals from a union of shift-invariant subspaces (2007)

We study a sampling problem where sampled signals come from a known union of shift-invariant subspaces and the sampling operator is a linear projection of the sampled signals into a fixed shift-invariant subspace. In practice, the sampling operator can be easily implemented by a multichannel uniform sampling procedure. We present necessary and sufficient conditions for invertible and stable sampling operators in this framework, and provide the corresponding minimum sampling rate. As an application of the proposed general sampling framework, we study the specific problem of spectrum-blind sampling of multiband signals. We extend the previous results of Bresler et al. by showing that a large class of sampling kernels can be used in this sampling problem, all of which lead to stable sampling at the minimum sampling rate.
Fe:ZnSe passive Q-switching of 2.8-μm Er:Cr:YSGG laser cavity (2007)

The use of Fe:ZnSe polycrystals as passive Q-switches for the Er:Cr:YSGG laser operating at 2.8&mgr;m is introduced. Fe:ZnSe samples with 1-7cm<sup>-1</sup> coefficients of absorption were prepared using thermal diffusion of iron in CVD grown polycrystalline ZnSe. A flashlamp pumped Er:Cr:YSGG laser with a variable (40 - 80% reflectivity) output coupler (OC) was used as a test bed for passive Q-switching. Using a 90% initial transmission Fe:ZnSe placed at the Brewster angle we obtained a single giant pulse lasing with a pulse duration of ~65 ns and a maximum output of 13 mJ under 30 J of flashlamp pump. Multi-pulse (19 pulses) output was obtained with 85 mJ total output energy at a pump energy of 30 J. The saturation curve of Fe:ZnSe was measured. Fitting this data with a theoretical model results in absorption crosssection of 0.56 × 10<sup>-18</sup> cm<sup>2</sup>, which is close to the value of the absorption cross-section obtained from spectroscopic measurements (0.85 × 10-18 cm<sup>2</sup> at 2.8 &mgr;m).
MOCVD techniques for the production of coated conductors (2003)

New deposition techniques are used for MOCVD of YBCO-, buffer- and protective layers in a reel to reel system. This system consists of three tape reactors and evaporators. So it is possible to deposit the superconductor, the buffer layer and a protective layer in situ in one vacuum system. The operativeness of the reactors were tested separately. In the YBCO reactor superconducting films have been deposited with critical current densities over 1 MA/cm/sup 2/ at 77 K on moved textured Nickel tapes at a transport velocity of 4 m/h. Textured Ni substrates were coated in the buffer layer reactor with CeO/sub 2/ and in first experiments a Ag layer was deposited by MOCVD onto the YBCO film.
Opinion: The Future of Publishing (2021)

Abstract In thinking about how all the various options play into the future of scientific publications, a number of thought‐provoking questions inevitably arise: Will there be a role for traditional publishing houses and associated journals publications in the future? How will quality be assured, and authenticity guaranteed? What is the future of peer review? Is there a need for multiple publishers? What role do developments in artificial intelligence play?
Toward 30-gram Autonomous Indoor Aircraft: Vision-based Obstacle Avoidance and Altitude Control (2006)

We aim at developing autonomous micro-flyers capable of navigating within houses or small built environments. The severe weight and energy constraints of indoor flying platforms led us to take inspiration from flying insects for the selection of sensors, signal processing, and behaviors. This paper presents the control strategies enabling obstacle avoidance and altitude control using only optic flow and gyroscopic information. For experimental convenience, the control strategies are first implemented and tested separately on a small wheeled robot featuring the same hardware as the targeted aircraft. The obstacle avoidance system is then transferred to a 30-gram aircraft, which demonstrates autonomous steering within a square textured arena.
Antibody catalyzed modification of amino acids. Efficient hydrolysis of tyrosine benzoate (2001)

Esterase antibody 522c2, the first example of a catalytic antibody specifically programmed to control the reactivity of functional groups on the side chain of tyrosine, accelerates the hydrolysis of benzoate esters of L-tyrosine and tyrosine-containing dipeptides by a factor of 104 and is moderately active against other benzoate esters.
Amino acid residues important for substrate specificity of the amino acid permeases Can1p and Gnp1p in <i>Saccharomyces cerevisiae</i> (2001)

Deletion of the general amino acid permease gene GAP1 abolishes uptake of L-citrulline in Saccharomyces cerevisiae, resulting in the inability to grow on L-citrulline as sole nitrogen source. Selection for suppressor mutants that restored growth on L-citrulline led to isolation of 21 mutations in the arginine permease gene CAN1. One similar mutation was found in the glutamine-asparagine permease gene GNP1. L-[(14)C]citrulline uptake measurements confirmed that suppressor mutations in CAN1 conferred uptake of this amino acid, while none of the mutant permeases had lost the ability to transport L-[(14)C]arginine. Substrate specificity seemed to remain narrow in most cases, and broad substrate specificity was only observed in the cases where mutations affect two proline residues (P148 and P313) that are both conserved in the amino acid-polyamine-choline (APC) transporter superfamily. We found mutations affecting six predicted domains (helices III and X, and loops 1, 2, 6 and 7) of the permeases. Helix III and loop 7 are candidates for domains in direct contact with thetransported amino acid. Helix III was affected in both CAN1 (Y173H, Y173D) and GNP1 (W239C) mutants and has previously been found to be important for substrate preference in other members of the family. Furthermore, the mutations affecting loop 7 (residue T354, S355, Y356) are close to a glutamate side chain (E367) potentially interacting with the positively charged substrate, a notion supported by conservation of the side chain in permeases for cationic substrates.
To Market, To Market--2015 (2016)

Medicinal Chemistry Reviews is an outstanding 600 page volume providing timely and critical reviews of important topics in medicinal chemistry. It is provided free of charge to MEDI members in electronic format. Members can also order a print copy, for the cost of printing, shipping and handling
Preparation of polyamides derived from 1,6‐diamantane dicarboxylic chloride by solution polycondensation and interfacial polycondensation (1995)

Abstract 1,6‐Diamantane dicarboxvlic acyl chloride ( I ) was used as a monomer with various aromatic diamines to synthesize polyamides by interfacial polycondensation and solution polycon‐densation. The polyamides prepared by interfacial polycondensation had inherent viscosities between 0.38 and 0.15 dL/g. The polyamides prepared by solution polycondensation had inherent viscosities between 0.62 and 0.25 dL/g. The polyamides IIIa prepared by solution polycondensation showed the main melting transition at 380°C by dynamic mechanical analysis. In addition, it was quite temperature‐stable and maintained good mechanical properties (G′⋐10 8 Pa) up to high temperatures close to the main transition well above 350°C. The polyamide IIIA had a tensile strength of 35 MPa, elongations to break of 10%, and initial modulus of 0.8 GPa. Some of the polyamides were soluble in NMP, DMAc, and DMSO, depending on soft segment moiety of diamine ( II ). The polyamides prepared by interfacial polycondensation have a greater tendency to form crystal than those prepared by solution polycondensation, as evidenced by x‐ray diffraction studies. These polyamides had glass transition temperatures in the 270–300°C range, and 5% weight loss temperatures up to 435°C in nitrogen. © 1995 John Wiley &amp; Sons, Inc.
Preparation of Interconnected Porous Chitosan Scaffolds by Sodium Acetate Particulate Leaching (2011)

For tissue-engineering applications, a 3D porous chitosan scaffold was simply prepared from a mixture of acidic chitosan solution and sodium acetate particles as the porogen by a salt-leaching method. Differences in the porous structure in terms of pore morphology and interconnectivity between the salt-leached chitosan scaffold and phase-separated scaffold as the control were examined by using scanning electron microscopy, protein release and enzymatic degradation tests. A fibroblast (NIH-3T3) cell culture was performed for cell affinity evaluation. The chitosan scaffold prepared by salt-leaching showed good interconnectivity and improved mechanical properties. Furthermore, the chitosan scaffolds showed a high initial cell adhesion after 4 h cell culture and increased cell proliferation than the control. Thus, salt-leached chitosan scaffolds can be used for various tissue-engineering applications.
Advanced materials based on polymer cocrystalline forms (2012)

Abstract Polymeric “cocrystalline forms,” that is, structures were a polymeric host and a low‐molecular‐mass guest are cocrystallized, were early recognized, and in many cases also well characterized by X‐ray diffraction studies. However, only in the last two decades cocrystalline forms have received attention in material science, due to the ability (of few of them) to maintain an ordered polymer host structure even after guest removal, thus leading to the formation of “nanoporous‐crystalline forms,” for which many applications in the fields of molecular separation and sensors have been proposed. Moreover, in the last decade, an accurate control of the orientation of the polymer cocrystalline phases has been achieved, thus leading to a control of the orientation of the guest molecules, not only in the crystalline phase but also in macroscopic films. In addition, on the basis of this orientation control, in the last few years, cocrystalline films where active molecules are present as guests of polymer cocrystalline phases have been proposed for optical, magnetic and electric applications. In the last few years, it has been also discovered that polymer cocrystallization, when induced by nonracemic guest molecules, can produce stable chiral optical films. © 2012 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012
Mechanical Regulation of Bone Homeostasis Through p130Cas-mediated Alleviation of NF-κB Activity (2019)

Mechanical loading plays an important role in bone homeostasis. However, molecular mechanisms behind the mechanical regulation of bone homeostasis are poorly understood. We previously reported p130Cas (Cas) as a key molecule in cellular mechanosensing at focal adhesions. Here, we demonstrate that Cas is distributed in the nucleus and supports mechanical loading–mediated bone homeostasis by alleviating NF-κB activity, which would otherwise prompt inflammatory processes. Mechanical unloading modulates Cas distribution and NF-κB activity in osteocytes, the mechanosensory cells in bones. Cas deficiency in osteocytes increases osteoclastic bone resorption associated with NF-κB–mediated RANKL expression, leading to osteopenia. Upon shear stress application on cultured osteocytes, Cas translocates into the nucleus and down-regulates NF-κB activity. Collectively, fluid shear stress–dependent Cas-mediated alleviation of NF-κB activity supports bone homeostasis. Given the ubiquitous expression of Cas and NF-κB together with systemic distribution of interstitial fluid, the Cas–NF-κB interplay may also underpin regulatory mechanisms in other tissues and organs.
ESR of P2O5-doped V2O5 single crystals (1981)

ESR of P2O5-doped V2O5 single crystals shows that paramagnetic defect of V2O5 can be modified by adding small amounts of P2O5. Instead of being equally delocalized over two vanadium sites, the unpaired electron appears to be mostly localized on a single vanadium. Smaller hyperfine couplings are observed with another vanadium and one phosphorus nucleus. This suggests that PO4 tetrahedra are inserted between two a, c cleavage planes, where they take the place of an apex oxygen in the VO5 basic pyramid. Les monocristaux de V2O5 dopes avec P2O5 ont été étudiés par RPE. Le défaut paramagnétique existant dam V2O5 pur se trouve complètement modifié par l'addition de faibles quantités de P205. L'électron paramagnétique n'est plus localisé sur deux sites vanadium mais se trouve principalement en interaction avec un seul vanadium. On observe egalement un faible couplage hyperfin avec un deuxième vanadium et un phosphore. Ceci permet de suggérer que le tétraèdre PO4 est inseré entre deux plans de clivage a, c de la structure orthorombique de V2O5 et se substitue à l'oxygène situé au sommet de la pyramide de base formant cette structure.
Apparatus for Endoscopical, Laser-Based Determination of Ciliary Beat Frequency (2005)

There is a considerable interest in minimal invasive in vivo detection of ciliary beat frequency (CBF) in the medical society. We have shown that CBF can be measured in vivo by the technique of video-endoscopic dynamic speckle interferometry.
An adaptive spread spectrum (SS) synchronous data hiding strategy for scalable 3D terrain visualization (2008)

The diversity of clients in today's network environment compels us to think about solutions that more than satisfy their needs according to their resources. For 3D terrain visualization this translates into two main requirements, namely the scalability and synchronous unification of a disparate data that requires at least two files, the texture image and its corresponding digital elevation model (DEM). In this work the scalability is achieved through the multiresolution discrete wavelet transform (DWT) of the JPEG2000 codec. For the unification of data, a simple DWT-domain spread spectrum (SS) strategy is employed in order to synchronously hide the DEM in the corresponding texture while conserving the JPEG2000 standard file format. Highest possible quality texture is renderable due to the reversible nature of the SS data hiding. As far as DEM quality is concerned, it is ensured through the adaptation of synchronization in embedding that would exclude some highest frequency subbands. To estimate the maximum tolerable error in the DEM according to a given viewpoint, a human visual system (HVS) based psycho-visual analysis is being presented. This analysis is helpful in determining the degree of adaptation in synchronization.