gebhart/patrepeval huggingface dataset:
Rational synthesis of elusive organic–inorganic hybrid metal-oxo clusters: formation and post-functionalization of hexavanadates (2023)

Paving the way towards new functional materials relies increasingly on the challenging task of forming organic-inorganic hybrid compounds. In that regard, discrete atomically-precise metal-oxo nanoclusters have received increasing attention due to the wide range of organic moieties that can be grafted onto them through functionalization reactions. The Lindqvist hexavanadate family of clusters, such as [V<sub>6</sub>O<sub>13</sub>{(OCH<sub>2</sub>)<sub>3</sub>C-R}<sub>2</sub>]<sup>2-</sup> (V<sub>6</sub>-R), is particularly interesting due to the magnetic, redox, and catalytic properties of these clusters. However, compared to other metal-oxo cluster types, V<sub>6</sub>-R clusters have been less extensively explored, which is mainly due to poorly understood synthetic challenges and the limited number of viable post-functionalization strategies. In this work, we present an in-depth investigation of the factors that influence the formation of hybrid hexavanadates (V<sub>6</sub>-R HPOMs) and leverage this knowledge to develop [V<sub>6</sub>O<sub>13</sub>{(OCH<sub>2</sub>)<sub>3</sub>CNHCOCH<sub>2</sub>Cl}<sub>2</sub>]<sup>2-</sup> (V<sub>6</sub>-Cl) as a new and tunable platform for the facile formation of discrete hybrid structures based on metal-oxo clusters in relatively high yields. Moreover, we showcase the versatility of the V<sub>6</sub>-Cl platform through its post-functionalization <i>via</i> nucleophilic substitution with various carboxylic acids of differing complexity and with functionalities that are relevant in multiple disciplines, such as supramolecular chemistry and biochemistry. Hence, V<sub>6</sub>-Cl was shown to be a straightforward and versatile starting point for the formation of functional supramolecular structures or other hybrid materials, thereby enabling their exploration in various fields.
Optimisation of the Enzymatic Hydrolysis of Blood Cells with a Neutral Protease (2012)

For utilizing the blood cells (BCs) effectively, enzymatic hydrolysis was applied to produce the enzymatically hydrolyzed blood cells (EHBCs) by using a neutral protease as a catalyst. The results of the single-factor experiments showed optimal substrate concentration, enzyme to substrate ratio (E/S), pH, temperature, and incubation period were 1.00%, 0.10, 7.00, 50.00°C, and 12.00 h, respectively. The optimized hydrolysis conditions from response surface methodology (RSM) were pH 6.50, E/S 0.11, temperature 45.00°C, and incubation period 12.00 h. Under these conditions (substrate concentration 1.00%), the degree of hydrolysis (DH) was 35.06%. The free amino acids (FAAs) content of the EHBCs (35.24%) was 40.46 times higher than BCs while the total amino acids (TAAs) content was lower than BCs. The scores of lysine (human 0.87; pig 0.97), valine (human 1.42; pig 1.38), leucine (human 1.50; pig 1.90), tyrosine (human 0.84; pig 1.09), and histidine (human 2.17; pig 2.50) indicated that the EHBCs basically fulfilled the adult human and pig nutritional requirements. The calculated protein efficiency ratios (C-PERs) of the EHBCs were 3.94, 6.19, 21.73, and 2.04. In summary, the EHBCs were produced successfully with optimized conditions and could be a novel protein source for humans and pigs.
ChemInform Abstract: Optically Active Surfactants. Part 2. Chemoenzymatic Synthesis of Bis(( R)‐(‐)‐2‐ethyl‐1‐hexyl) Sodium Sulfosuccinate (Aerosol Ot) via Lipase‐ Catalyzed Resolution of (R,S)‐2‐Ethylhexan‐1‐ol. (1994)

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.
Behavioral consistency of C and verilog programs using bounded model checking (2003)

We present an algorithm that checks behavioral consistency between an ANSI-C program and a circuit given in Verilog using Bounded Model Checking.Both the circuit and the program are unwound and translated into a formula that is satisfiable if and only if the circuit and the code disagree.The formula is then checked using a SAT solver.We are able to translate C programs that make use of side effects, pointers, dynamic memory allocation, and loops with conditions that cannot be evaluated statically.We describe experimental results on various reactive circuits and programs, including a small processor given in Verilog and its Instruction Set Architecture given in ANSI-C.
Antioxidant Dps protein from the thermophilic cyanobacterium Thermosynechococcus elongatus (2006)

DNA-binding proteins from starved cells (Dps proteins) protect bacteria primarily from oxidative damage. They are composed of 12 identical subunits assembled with 23-symmetry to form a compact cage-like structure known to be stable at temperatures > 70 degrees C and over a wide pH range. Thermosynechococcus elongatus Dps thermostability is increased dramatically relative to mesophilic Dps proteins. Hydrophobic interactions at the dimeric and trimeric interfaces called Dps-like are replaced by salt bridges and hydrogen bonds, a common strategy in thermophiles. Moreover, the buried surface area at the least-extended Dps-like interface is significantly increased. A peculiarity of T. elongatus Dps is the presence of a chloride ion coordinated with threefold symmetry-related arginine residues lining the opening of the Dps-like pore toward the internal cavity. T. elongatus Dps conserves the unusual intersubunit ferroxidase centre that allows the Dps protein family to oxidize Fe(II) with hydrogen peroxide, thereby inhibiting free radical production via Fenton chemistry. This catalytic property is of special importance in T. elongatus (which lacks the catalase gene) in the protection of DNA and photosystems I and II from hydrogen peroxide-mediated oxidative damage.
PDX-1 and Msx-2 expression in the regenerating and developing pancreas (1999)

We have observed pancreatic duct cell proliferation and islet regeneration in transgenic mice whose pancreata produce interferon gamma (IFNg mice). We have previously demonstrated that new islet cells derive from endocrine progenitor cells in the pancreatic ducts of this model. The current study was initiated to define these endocrine progenitor cells further and to identify novel markers associated with pancreatic regeneration. Importantly, we have found that PDX-1, a transcription factor required for insulin gene transcription as well as for pancreatic development during embryogenesis, is expressed in the duct cells of IFNg mice. This striking observation suggests an important role for PDX-1 in the marked regeneration observed in IFNg mice, paralleling its critical function during ontogeny. Also demonstrated was elevated expression of the homeobox-containing protein Msx-2 in the pancreata of fetal mice as well as in adult IFNg mice, identifying this molecule as a novel marker associated with pancreatic development and regeneration as well. The identification of PDX-1 and Msx in the ducts of the IFNg transgenic pancreas but not in the ducts of the non-transgenic pancreas suggests that these molecules are associated with endocrine precursor cells in the ducts of the IFNg transgenic mouse.
Interaction between B-CLL Cells and Lymphoid Microenvironment Leads to Activation of PI3-K/Akt Pathway and Inhibition of Apoptosis. (2005)

Abstract Inhibition of apoptosis and long survival leads to accumulation of the leukemic cells in B cell chronic lymphocytic leukemia (B-CLL). This could be due to activation of anti-apoptotic cascades in CLL cells through interaction with their lymphoid microenvironment. Therefore, we investigated the role of tumor microenvironment in prolongation of survival of B-CLL cells and activation of the potent anti-apoptotic PI3-K/Akt pathway. Stromal fibroblasts of bone marrow (BMFs), spleen (SF) and lymph gland (LGF) were used as an in vitro model for lymphoid microenvironment and we tested their ability to inhibit spontaneous apoptosis of B-CLL cells. Co-culture of B-CLL cells with human BMFs, LGF, and SF significantly inhibited apoptosis and prolonged survival of the leukemic cells in comparison to suspension cultures and to co-cultures with fibroblasts obtained from non-lymphoid organs. Trans-well culture experiments indicated that cell-cell interaction and soluble mediators are essential for this supportive effect. To explore the involvement of PI3-K/Akt pathway in the anti-apoptotic effect of stromal fibroblasts, co-cultures were performed in presence of PI3-K inhibitors (wortmannin or Ly294002) or siRNAs against PI3-K (p110ß subunit) and Akt1. These inhibitors significantly reduced the supportive effect of stromal fibroblasts and induced apoptosis in B-CLL cells. Interestingly, the leukemic cells were far more sensitive to PI3-K inhibition than T cells, monocytes and fibroblasts. Induction of apoptosis was associated with a significant decrease in the intracellular PIP3, PI3-K, PDK1 and Akt1, NF-kappa B, IKK and de-phosphorylation/activation of tumor suppressor protein PTEN. Studies using phosphospecific anti-PTEN antibody demonstrated that PBMC of CLL patients (n=40) highly express a phosphorylated form of PTEN. The results demonstrate that the PI3-K/Akt pathway is involved in inhibition of apoptosis of B-CLL cells and suggest that interaction of the leukemic cells with lymphoid microenvironment maintains the activation of this pathway. The data also suggest that targeting this pathway represents a new option for designing novel therapeutic strategies in B-CLL.
TH 241 Column-Supported Embankment (2008)

A pile-supported embankment constructed on TH 241 near St. Michael, MN was instrumented with 48 sensors, including strain gages on the piles and on the geogrid, as well as earth pressure cells and settlement systems near the base of the embankment. Pile supported embankments are relatively novel structures employed largely at bridge approaches and highway expansions where soft soils would otherwise lead to unacceptably large differential settlements. The structure typically consists of a number of capped piles, well-compacted gravel, and one or more layers of geogrid reinforcement above the piles. Analyses of the data suggest that the redistribution of the embankment load to the piles occurs within and above the so-called load transfer platform, a 1 m layer of geogridreinforced gravel. Arching seemed to take place within the embankment, such that the stress at the top of the platform was concentrated above the piles.
Role of Paricalcitol in Modulating the Immune Response in Patients with Renal Disease (2015)

Introduction. The aim was to highlight the existence of a relationship between vitamin D deficiency, chronic inflammation, and proteinuria, by measuring neutrophil gelatinase associated lipocalin (NGAL) and common inflammatory markers after administration of paricalcitol, a vitamin D analog, in vivo and in vitro. Methods. 40 patients with end-stage chronic kidney disease (CKD) and secondary hyperparathyroidism and 40 healthy subjects were enrolled. Serum calcium, phosphorus, 25(OH)-vitamin D, parathyroid hormone (PTH), erythrocyte sedimentation rate, high-sensitivity C-reactive protein, interleukin- (IL-) 17, IL-6, IL-1β, interferon-gamma (IFN-γ), tumor necrosis factor-alpha (TNF-α), plasmatic and urinary NGAL, and 24 h albuminuria and proteinuria were measured before and 24 h after an intravenous bolus of paricalcitol (5 mcg). Human peripheral blood mononuclear cells were isolated and stimulated with phytohaemagglutinin. NGAL, IL-1β, IL-17, IL-6, TNF-α, and IFN-γ were measured in the culture medium and in the 24 h urine collection. Results. 25(OH)-vitamin D was lower in CKD than in controls (p < 0.0001), while inflammatory markers were higher in CKD group (p < 0.0001). In vivo and in vitro studies showed a downregulation of NGAL, IL-17, IL-6, IL-1β, TNF-α, and IFN-γ after paricalcitol administration (p < 0.0001). Conclusions. 25(OH)-vitamin D regulates immune and inflammatory processes. Further studies are needed to confirm these data in order to improve the treatment of CKD patients.
Reflexion upon the last ten years of research concerning Trichogramma (Hym. Trichogrammatidae) (1986)

52 ref.
Matching of group velocities by spatial walk-off in collinear three-wave interaction with tilted pulses (1996)

We demonstrate that, for tilted pulses, the contribution to group velocity that is due to spatial walk-off can compensate for the group-velocity mismatch in three-wave interactions. With 100-fs, 0.4-Zmicrom pump pulses in beta-barium borate, we obtained efficient parametric generation of collinear superfluorescence tunable in the range from 0.456 to 3.25 microm.
Structure and dynamics of ligand binding to E. coli peptide deformylase / (2002)

unique (3-methylene protons.......
B‐Octamethyl‐[12]Mercuracarborand‐4 as Host for “Naked” Fluoride Ions (2004)

Fs in rings: A cyclic multidentate Lewis acidic receptor is coordinated by a weakly bonded fluoride ion in 1 (see picture). This host–guest system has properties such as air- and moisture-stability, solubility in common organic solvents, and utility as a source for “naked” fluoride ions generated in situ.
Nanosponges for Gas Storage (2019)

This chapter presents a brief overview on the state of the art of the design and application of nanosponges for the storage of most commonly used gases. It discusses the influence that parameters such as surface area, pore volume, pore size, and chemical structure have on gas uptake and how gravimetric and volumetric storage capabilities can be maximized by tuning these parameters. Compared to hydrogen, natural gas is more easily adsorbed at room temperature on porous materials, with heats of adsorption comprised between 10 and 20 kJ/mol. Carbon capture and storage has received widespread concerns as a promising strategy to allow the continued use of fossil fuels while alleviating excessive emissions of CO2 into the atmosphere. Physisorption on nanosponges allows to reversibly store significant amounts of gas at room temperature and atmospheric pressure, thus preventing the risks deriving from handling high-pressure compressed gas and the technological constraints related to the low temperature of liquefied gas.
Evidence of preservation injury to bile ducts by bile salts in the pig and its prevention by infusions of hydrophilic bile salts (1995)

Preservation injury to bile ducts is a serious problem in liver transplantation, especially when preservation exceeds 12 hours. The authors hypothesized that the injury was caused by contact of bile ducts with bile salts during cold preservation and might be preventable by infusion of more hydrophilic bile salts. Swine livers were harvested after intraportal infusions of saline (control), of the hydrophobic bile salt taurodeoxycholate, or of the hydrophilic bile salts tauroursodeoxycholate or dehydrocholate. The effect of infusing a combination of hydrophilic and hydrophobic bile acids was also studied. Bile samples were taken before and during the infusions. Then livers were perfused with UW solution, ducts were flushed retrograde with UW, and livers were stored at 0 to 1°C for 20 hours. Bile ducts were harvested after preservation, and coded microscopic slides of the specimens were examined by light microscopy. There was large variability in baseline bile salt concentration. Injury after preservation consisted of sloughing and pyknosis of surface and glandular epithelium. The histologic injury score determined after preservation was directly related to bile salt concentration in bile ducts at the time of flushing. During bile salt infusions, the infused bile salt replaced most or all of the other bile salts present in bile. Severe postpreservation injury of intrahepatic ducts occurred after taurodeoxycholate infusions, but injury was minimal when either of the two hydrophilic bile salts was infused. The mixture of bile acids produced intermediate results. Retrograde flushing with UW does not prevent injury to intrahepatic ducts. The authors conclude that the injury is caused by contact with bile salts, is dependent on bile salt concentration and composition, and is preventable. (Hepatology 1995; 21:1130-1137.)
Convolutional Neural Network Steganalysis's Application to Steganography (2017)

This paper presents a novel approach to increase the performance bounds of image steganography under the criteria of minimizing distortion. The proposed approach utilizes a steganalysis convolutional neural network (CNN) framework to understand an image's model and embed in less detectable regions to preserve the model. In other word, the trained steganalysis CNN is used to calculate derivatives of the statistical model of an image with respect to embedding changes. The experimental results show that the proposed algorithm outperforms previous state-of-the-art methods in a wide range of low relative payloads when compared with HUGO, S-UNIWARD, and HILL by the state-of-the-art steganalysis.
Alpha-tocopherol inhibits agonist-induced monocytic cell adhesion to cultured human endothelial cells. (1994)

Antioxidants have been proposed to be anti-atherosclerotic agents; however, the mechanisms underlying their beneficial effects are poorly understood. We have examined the effect of alpha-tocopherol (alpha-tcp) on one cellular event in atherosclerotic plaque development, monocyte adhesion to stimulated endothelial cells (ECs). Human umbilical vein ECs were pretreated with alpha-tcp before stimulation with known agonists of monocyte adhesion: IL-1 (10 ng/ml), LPS (10 ng/ml), thrombin (30 U/ml), or PMA (10 nM). Agonist-induced monocytic cell adhesion, but not basal adhesion, was inhibited in a time- and concentration-dependent manner by alpha-tcp. The IC50 of alpha-tcp on an IL-1-induced response was 45 microM. The inhibition correlated with a decrease in steady state levels of E-selectin mRNA and cell surface expression of E-selectin which is consistent with the ability of a monoclonal antibody to E-selectin to inhibit monocytic cell adhesion in this system. Probucol (50 microM) and N-acetylcysteine (20 mM) also inhibited agonist-induced monocytic cell adhesion; whereas, several other antioxidants had no significant effect. Protein kinase C (PKC) does not appear to play a role in the alpha-tcp effect since no suppression of phosphorylation of PKC substrates was observed. Activation of the transcription factor NF-kappa B is reported to be necessary but not sufficient for E-selectin expression in EC. Electrophoretic mobility shift assays failed to show an alpha-tcp-induced decrease in activation of this transcription factor after cytokine stimulation. It has been hypothesized that alpha-tcp acts as an anti-atherosclerotic molecule by inhibiting generation of oxidized LDL--a putative triggering molecule in the atherosclerotic process. Our results point to a novel alternative mechanism of action of alpha-tcp.
Diabetes Mellitus and the Benefit of Antiresorptive Therapy on Fracture Risk (2020)

Type 2 diabetes (T2D) is associated with increased risk of fractures. However, it is unclear whether current osteoporosis treatments reduce fractures in individuals with diabetes. The aim of the study was to determine whether presence of T2D influences the efficacy of antiresorptive treatment for osteoporosis using the Foundation for the National Institutes of Health (FNIH)-American Society for Bone and Mineral Research (ASBMR)-Study to Advance Bone Mineral Density (BMD) as a Regulatory Endpoint (SABRE) cohort, which includes individual patient data from randomized trials of osteoporosis therapies. In this study we included 96,385 subjects, 6.8% of whom had T2D, from nine bisphosphonate trials, two selective estrogen receptor modulator (SERM) trials, two trials of menopausal hormone therapy, one denosumab trial, and one odanacatib trial. We used Cox regression to obtain the treatment hazard ratio (HR) for incident nonvertebral, hip, and all fractures and logistic regression to obtain the treatment odds ratio (OR) for incident morphometric vertebral fractures, separately for T2D and non-DM. We used linear regression to estimate the effect of treatment on 2-year change in BMD (n = 49,099) and 3-month to 12-month change in bone turnover markers (n = 12,701) by diabetes status. In all analyses, we assessed the interaction between treatment and diabetes status. In pooled analyses of all 15 trials, we found that diabetes did not impact treatment efficacy, with similar reductions in vertebral, nonvertebral, all, and hip fractures, increases in total hip and femoral neck BMD, and reductions in serum C-terminal cross-linking telopeptide (CTX), urinary N-telopeptide of type I collagen/creatinine (NTX/Cr) and procollagen type 1 N propeptide (P1NP) (all interactions p > 0.05). We found similar results for the pooled analysis of bisphosphonate trials. However, when we considered trials individually, we found a few interactions within individual studies between diabetes status and the effects of denosumab and odanacatib on fracture risk, change in BMD or bone turnover markers (BTMs). In sum, these results provide strong evidence that bisphosphonates and most licensed antiresorptive drugs are effective at reducing fracture risk and increasing BMD irrespective of diabetes status. © 2022 The Authors. Journal of Bone and Mineral Research published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research (ASBMR).
Mitigation of power supply disturbance in electronic loads (2011)

An alternate power supply guarantees the performance of loads during voltage disturbances in the normal supply. It is proposed to implement a quick change over of the power supply of single-phase electronic loads from the faulty phase to a healthy phase in a 3-phase system. Supercapacitors maintain the dc voltage during the period of disturbance. A zigzag transformer may also be used to rebuild a balanced 3-phase load voltage by isolating the faulty phase from the load. Both the 3-phase and single-phase loads may be supplied with the rated voltage during the period of disturbance. Use of a static transfer switch reduces the change over time to 0.02 second.
Crystal structure of the African swine fever virus core shell protein p15 (2020)

African swine fever virus (ASFV) is the causative agent of African swine fever, a highly fatal hemorrhagic disease of pigs, which has resulted in great economic losses to the global pork industry, especially in Asia. ASFV particles are comprised of multiple layers encompassing the genomic DNA. Though the capsid structure has been determined, very little is known about the structure of the core shell. The precursor polyprotein pp62 is the structural component of the core shell that gives rise to the p35 and p15 proteins. Herein, we describe the crystal structure of p15 at a resolution of 2.2 Å. The structure of p15 exhibits as a trimeric conformation that is mainly mediated by intermolecular disulfide bonds and supported by multiple hydrogen bond interactions. The button conformation on the surface of adjacent molecules may also play a role in trimeric formation of the ASFV p15. The center of the p15 trimer exhibits opposite electrostatic characteristics on each side. These findings benefit our understanding of ASFV core shell assembly and will aid in the design of antiviral drugs and vaccines.