gebhart/patrepeval huggingface dataset:
Catalytic Transfer Hydrogenation of Furfural to Furfuryl Alcohol under Mild Conditions over Zr-MOFs: Exploring the Role of Metal Node Coordination and Modification (2020)

The catalytic transfer hydrogenation (CTH) reaction is considered as a potential route for upgrading bio-based carbonyls to their corresponding alcohols. Herein, a series of Zr-based metal−organic frameworks (Zr-MOFs) containing various types of metal node to ligand coordinations were synthesized and tested for CTH of furfural (FUR) to furfuryl alcohol (FOL). It was found that metal node coordination plays a more important role than porosity in Zr-MOFs. MOF-808 (synthesized using a scaled-up approach to achieve a higher batch yield), with the lowest metal node to ligand coordination (coordination number 6), was found to be the most active catalyst among the various tested Zr-MOFs. Furthermore, M-MOF-808, modified by simple methanol activation (M), outperformed the pristine MOF-808 in CTH of FUR to FOL even at 30 °C in the presence of 2-propanol (IPA) as the hydrogen source. The simple modification of the metal node in the Zr-MOF changed the acid–base properties of the MOF-808 surface through the development of coordinatively unsaturated sites (CUS), hydroxyl and methoxy groups in the framework of the Zr-MOF, which probably help to facilitate the adsorption of FUR and IPA onto the metal node surfaces of the catalyst. To evaluate the versatility of methanol activation in CTH, further substrates, including other types of biomass and representative carbonyl compounds over M-MOF-808, were tested. To demonstrate heterogeneous catalysis, the catalyst was recycled for five consecutive cycles, with little loss after the first cycle, and was fully characterized to observe any changes in its structure. Mechanistic insights were provided by isotopically labeled 2-propanol-d8 experiments, indicating FUR reduction through transfer hydrogenation. Finally, the reaction mechanism for CTH of FUR to FOL was proposed in detail using density functional theory (DFT) calculations over metal node modified model systems of a 6-connected Zr-MOF.
QT Interval Prolongation and Sudden Cardiac Death in Diabetic Autonomic Neuropathy* (1987)

Alterations in cardiac sympathetic innervation may result in QT interval prolongation and predispose to sudden arrhythmias and death. Sudden cardiac death occurs in diabetic patients who have autonomic neuropathy, but the cause is uncertain. In 30 patients with insulin-dependent diabetes mellitus who had no evidence of ischemic heart disease, cardiac autonomic neuropathy, determined by clinical tests, was found in 17. The corrected QT interval (QTc), measured using Bazett's formula at rest and peak exercise, was prolonged (greater than 440 msec) in 12 of these patients at rest and in 15 at peak exercise. Prolonged QTc intervals were found only in patients who had definite cardiac autonomic neuropathy. As a group, the QTc interval (mean +/- SD) in the diabetic patients with cardiac autonomic neuropathy was prolonged compared to that in patients without cardiac autonomic neuropathy at rest (447 +/- 28 vs. 405 +/- 9 ms; P less than 0.0001) and peak exercise (468 +/- 23 vs. 402 +/- 23 ms; P less than 0.0001). There was a direct linear relationship between the extent of cardiac autonomic neuropathy and the QTc interval (r = 0.71; P less than 0.001). One of the patients with cardiac autonomic neuropathy and prolonged QTc intervals had a nonuniform loss of adrenergic neurons in his heart demonstrated by meta-iodobenzyl-guanidine scintigraphy, indicating sympathetic imbalance; he subsequently died unexpectedly. These data suggest that diabetic cardiac autonomic neuropathy may result in sympathetic imbalance and QTc interval prolongation, predisposing these patients to sudden arrhythmias and death.
Efficient Synthesis of 3,5,6‐Trisubstituted‐1,2,4‐triazines in the Brønsted Acidic Ionic Liquid, 1‐n‐Butylimidazolium Tetrafluoroborate ([Hbim]BF4) (2007)

Abstract 3,5,6‐Trisubstituted‐1,2,4‐triazines were synthesized in a one‐pot reaction with acid hydrazide, 1,2‐diketone, and ammonium acetate in the Brønsted acidic ionic liquid, 1‐n‐butyl imidazolium tetrafluoroborate ([Hbim]BF4).
Predictors and outcomes of unplanned early rehospitalization in the first year following lung transplantation (2016)

Unplanned early rehospitalization (UER), defined as an unscheduled admission within 30 days of a hospital discharge, is associated with graft loss and recipient mortality in some solid organ transplants but has not been investigated in lung transplant. In this retrospective study, we collected socio-demographic and clinical factors to determine predictors and outcomes of UER in the first year following lung transplantation. There were 193 patients who underwent lung transplantation and survived to discharge during the 7.9-year study period. There were 116 (60.1%) patients with at least one UER. Infections (32.8%) and post-surgical complications (11.8%) were the most common reasons for UER. On multivariate analysis, the strongest predictor of having an UER was discharge to a long-term acute care facility (odds ratio: 3.01, 95% confidence interval [CI] 1.46-6.20; P=.003). Patients with any UER in the first year following transplantation had worse adjusted survival (hazard ratio: 1.89, 95% CI 1.02-3.50; P=.04). It is unclear, however, to what extent UERs reflect preventable outcomes. Further large-scale, prospective research is needed to identify the extent to which certain types of UER are modifiable and to define patients at high-risk for preventable UER.
The biomechanical assessment and prediction of seat comfort (2020)

This chapter discusses the ubiquitous term ‘comfort’ by analysing a biomechanical correlate to sitting comfort; that is the pressure distribution between the seat surface and its occupant. A variety of approaches can be used to measure the pressure distribution. The widespread use of computers has been accompanied by a heightened interest in the ergonomics of office seating. In addition to improving the wellbeing of the worker, a comfortable seat may contribute to productivity. A well-designed seat should fit all sizes and shapes of users. Size differences may be accommodated through adjustability. Many designers view sitting as a static activity and design seats based on anthropometry. The H-point machine is one which has a seat back and seat pan representation of a deflected seat contour for adult males. This machine simulates the human torso and thigh and is mechanically articulated at the H-point.
N-Terminal Helix-Cap in α-Helix 2 Modulates β-State Misfolding in Rabbit and Hamster Prion Proteins (2013)

Susceptibility of a particular species to prion disease is affected by small differences in the sequence of PrP and correlates with the propensity of its PrP to assume the β-state. A helix-cap motif in the β2-α2-loop of native α-helical rabbit PrP, a resistant species, contains sequence differences that influence intra- and interspecies transmission. To determine the effect the helix-cap motif on β-state refolding propensity, we mutated S170N, S174N, and S170N/S174N of the rabbit PrP helix-cap to resemble that of hamster PrP and conversely, N170S, N174S, and N170S/N174S of hamster PrP to resemble the helix-cap of rabbit PrP. High-resolution crystal structures (1.45-1.6 Å) revealed that these mutations ablate hydrogen-bonding interactions within the helix-cap motif in rabbit PrP(C). They also alter the β-state-misfolding propensity of PrP; the serine mutations in hamster PrP decrease the propensity up to 35%, whereas the asparagine mutations in rabbit PrP increase it up to 42%. Rapid dilution of rabbit and hamster into β-state buffer conditions causes quick conversion to β-state monomers. Kinetic monitoring using size-exclusion chromatography showed that the monomer population decreases exponentially mirrored by an increase in an octameric species. The monomer-octamer transition rates are faster for hamster than for rabbit PrP. The N170S/N174S mutant of hamster PrP has a smaller octamer component at the endpoint compared to the wild-type, whereas the kinetics of octamer formation in mutant and wild-type rabbit PrP are comparable. These findings demonstrate that the sequence of the β2-α2 helix-cap affects refolding to the β-state and subsequently, may influence susceptibility to prion disease.
Abstract 18947: Clonal C-kit-Positive Bone Marrow Cells and Cardiomyogenesis (2013)

Conflicting results have been reported concerning the ability of c-kit-positive bone marrow cells (c-kit-BMCs) to transdifferentiate into cardiomyocytes. We have raised the possibility that c-kit-BMCs may constitute a functionally heterogeneous pool, containing cells with different cardiomyogenic potential. To test this hypothesis, multicellular clones derived from individual c-kit-BMCs were obtained and transplanted in acutely infarcted mice. Only a limited fraction of clonal c-kit-BMCs was found to be able to form cardiomyocytes and promote myocardial regeneration. On this basis, c-kit-BMC-derived clones were classified as myogenic or non-myogenic. The gene profile of these two categories of cells was studied by RNA-sequencing. Genes that showed a significant (p&lt;0.05) expression difference among cell groups were included in the analysis; 35 genes were uniquely upregulated in myogenic c-kit-BMCs. These results were subjected to functional annotation using gene ontology for the identification of molecular pathways showing different state of activation or repression in myogenic c-kit-BMCs. The 35 upregulated transcripts in myogenic c-kit-BMCs involved signal transduction and cell differentiation pathways. Similarly, a set of genes implicated in the response to stress were more represented in myogenic c-kit-BMCs, possibly reflecting the proficiency of this cell class to engraft in the microenvironment of the infarcted heart. A subset of these genes was found to be highly expressed in adult c-kit-positive resident cardiac stem cells. They included sequestosome1 and phosphodiesterase1C, which are highly expressed during cardiac development. Moreover, cathepsin D, which favors angiotensin II formation, sarcomeric accumulation, and myocyte hypertrophy, was more represented in myogenic c-kit-BMCs. With respect to the whole pool of freshly isolated c-kit-BMCs, 105 genes were downregulated in myogenic c-kit-BMCs, indicating that transdifferentation into cardiomyocytes requires the suppression of hematopoietic factors. In conclusion, c-kit-BMCs are functionally heterogeneous, containing cells with different cardiomyogenic potential.
A Hybrid Quantum–Classical Study of Ion Adsorption at the Copper Electrode (2022)

We present a set of computational studies that surveys the molecular structure and thermodynamics of simple ions at the electrode–electrolyte interface. A hybrid quantum–classical approach is used to obtain free energy profiles and solvent structure as a function of the ion’s position relative to the electrochemical liquid/solid interface and system potential. Model systems consist of a copper electrode and single halide or alkali metal ion in contact with an implicit solvent and reveal new insights into the interplay of forces that drive or resist ion absorption at the electrode/electrolyte interface. We also expand on subtleties of absorption site preference and describe the complex relationship between the energetic barrier to absorption and the ion–electrode binding energy as a function of electrode potential.
An integrated environment for technology closure of deep-submicron IC designs (2004)

With larger chip images and increasingly aggressive technologies, key design processes must interoperate, PDS, a physical-synthesis system, accomplishes technology closure through interacting processes of logic optimization, placement, timing, clock insertion, and routing, all using a common infrastructure with robust variable-accuracy analysis abstractions.
ChemInform Abstract: SYNTHESIS OF (Z)‐4‐(ACYLAMINO)‐ AND 4‐(ALKYLAMINO)‐α‐OXIMINOPHENYLACETIC ACIDS: PROPERTIES AND STEREOCHEMICAL DETERMINATION (1981)

Abstract Im Zusammenhang mit der Untersuchung von β‐Lactam‐Antibiotica, die eine Z‐a‐Oximinoessigsäureeinheit enthalten, werden Synthesewege zu α‐Oximinosäuren des Typs (I) ausgearbeitet.
Angle Tunable Liquid Wedge Prism Driven by Electro-Wetting (2006)

We proposed a wedge prism which is tunable by electrowetting actuation. The wedge prism is useful for a small camera or an endoscope, because the wedge prism is capable of changing the view without a large instrument. Our prism consists of two plates facing each other and liquid sandwiched between the plates. By changing the angle between the two plates, the liquid and the two plates form into the wedge shape. We used electrowetting to change the angle of the prism. The wedge prism keeps the size small, since the liquid driven by electrowetting works as a prism. In addition, the prism keeps the view clear because the optical flatness of the wedge prism is determined by the flatness of the two plates. In this research, we achieved the wedge prism with which we can shift the field of view to the right and the left.
Figure S3 from Targeting APLN/APLNR Improves Antiangiogenic Efficiency and Blunts Proinvasive Side Effects of VEGFA/VEGFR2 Blockade in Glioblastoma (2023)

&lt;p&gt;APLNR expression is upregulated in the infiltrating tumor zone in glioblastoma.&lt;/p&gt;
Techno-economics and performance of convergent radio and fibre architectures (2014)

This paper presents a techno-economic comparison between classical passive optical networking (PON) and innovative convergent radio and fibre architectures, based on intermediate aggregation at the remote base station (RBS) of both, fixed and mobile subscribers. By aggregating users at an active remote node (ARN) co-located at the RBS, which offers high-speed switching and statistical-multiplexing features for maximal exploitation of available network resources, the cost per bit of access networks is greatly reduced. Such techno-economic advantage is especially relevant at the present, in order to offer ultra-high-speed access for fixed users (> 1 Gbps) and connectivity at the RBS for 4G and beyond. In addition, the low-energy of the ARN and its low-cost design offer an environmentally sustainable technology solution, whilst acting as a critical enabler for new smart services, e-society initiatives, and intelligent lifestyle management. Finally, such ARN-based convergent architectures offer straight-forward Open Access control and management systems, so as to allow flexible infrastructure sharing and further reductions in CAPEX and OPEX, which are essential for the deployment of converged next-generation access networks for fixed and mobile subscribers. The work also includes performance studies to demonstrate that the proposed convergent radio and fibre architecture offers a realistic upgrade path to existing PON networks.
The role of surgery in the treatment of patients with complications of acute myocardial infarction (1978)

Abstract In the patient in cardiogenic shock with or without a mechanical complication after acute myocardial infarction, medical treatment alone is often inadequate. Occasionally, early mechanical circulatory support by means of intraaortic balloon pumping (IABP) may be successful; in such patients, however, operation is usually required later. In most instances, IABP alone is insufficient, but it is an effective stabilizing measure that allows many patients to safely undergo cardiac catheterization, coronary arteriography, and surgical treatment. In selected patients with anterior myocardial infarction, early IABP can interrupt injury. Patients with severe cardiogenic shock due to massive infarction with extensive ventricular dysfunction are best managed with myocardial revascularization and, frequently, infarctectomy. Patients with an interventricular defect who survive to undergo defect repair usually do not undergo concomitant revascularization, but we frequently perform infarctectomy in this situation. Other patients with mechanical complications of myocardial infarction, such as mitral regurgitation due to papillary muscle rupture or dysfunction, ruptured chordae tendineae, or annular or ventricular dilatation, are usually best treated with both coronary artery bypass grafting and mitral valve repair or replacement with or without infarctectomy. In some patients with a malignant ventricular arrhythmia, wide excision of the infarct may be helpful, with or without revascularization. The likelihood of a good result after operation for any of the complications of myocardial infarction improves if the surgical procedure can be safely postponed until the patient is not in an acute state of illness. However, postponement should not be at the expense of other organ systems, and any patient who is showing signs of clinical deterioration while receiving optimal medical therapy should be considered for insertion of the intra‐aortic balloon and operation .
ChemInform Abstract: New General Synthesis of α‐Alkoxyketones via α′‐Alkylation, α‐Alkylation and α,α′‐Dialkylation of α‐Alkoxyketimines. (2011)

Abstract The α‐methoxyketones are prepared via deprotonation of the starting propylidene amine (I) with LDA, followed by reaction with alkyl halides and hydrolysis of the imino functionality.
An adaptive smart lighting system (2012)

This demo abstract introduces an adaptive lighting testbed in the Smart Lighting Engineering Research Center located at Rensselaer Polytechnic Institute to highlight the advantages and capabilities of smart lighting systems. This testbed has been designed for experiments on a variety of topics such as color control, energy efficiency, self-commissioning, human factor studies, and localization. Section 2 describes the hardware and software used in the adaptive lighting testbed. Section 3 presents different types of experiments carried out using the testbed. The graphical user interface designed to monitor different performance criteria and adjust the design parameters is described in section 4.
4D space-time techniques: a medical imaging case study (2001)

We present the problem of visualizing time-varying medical data. Two medical imaging modalities are compared --- MRI and dynamic SPECT. For each modality, we examine several derived scalar and vector quantities such as the change in intensity over time, the spatial gradient, and the change of the gradient over time. We compare several methods for presenting the data, including isosurfaces, direct volume rendering, and vector visualization using glyphs. These techniques may provide more information and context than methods currently used in practice; thus it is easier to discover temporal changes and abnormalities in a data set.
PPAR-δ is repressed in Huntington's disease, is required for normal neuronal function and can be targeted therapeutically (2020)

Huntington’s disease (HD) is a progressive neurodegenerative disorder caused by a CAG-polyglutamine repeat expansion in the huntingtin (htt) gene. We found that peroxisome proliferator-activated receptor delta (PPARδ) interacts with htt and that mutant htt represses PPARδ-mediated transactivation. Increased PPARδ transactivation ameliorated mitochondrial dysfunction and improved cell survival of HD neurons. Expression of dominant-negative PPARδ in CNS was sufficient to induce motor dysfunction, neurodegeneration, mitochondrial abnormalities, and transcriptional alterations that recapitulated HD-like phenotypes. Expression of dominant-negative PPARδ specifically in the striatum of medium spiny neurons in mice yielded HD-like motor phenotypes, accompanied by striatal neuron loss. In mouse models of HD, pharmacologic activation of PPAR δ, using the agonist KD3010, improved motor function, reduced neurodegeneration, and increased survival. PPAR δ activation also reduced htt-induced neurotoxicity in vitro and in medium spiny-like neurons generated from human HD stem cells, indicating that PPAR δ activation may be beneficial in individuals with HD and related disorders.
Functionalized Rhodium Intercalators for DNA Recognition (1998)

A series of rhodium complexes containing the phenanthrenequinone diimine (phi) ligand have been prepared which bind DNA by intercalation and, upon photoactivation, promote DNA strand breaks. In this series, the ancillary, nonintercalating bipyridyl or phenanthroline ligands have been functionalized to yield complexes containing guanidinium, amido, or amino groups arranged with defined stereochemistry for site-specific interaction with the DNA bases. Lambda-1-[Rh(MGP)(2)phi](5+) (MGP = 4-(guanidylmethyl)-1,10-phenanthroline) site-specifically targets the 6-base pair sequence 5'-CATATG-3' with a binding affinity of 1 (+/-0.5) x 10(8) M(-)(1) while Delta-1-[Rh(MGP)(2)phi](5+) displays an affinity of 5 (+/-2) x 10(7) M(-)(1) for 5'-CATCTG-3'. Even though these two isomers target sites which differ by only a single base, binding is highly enantioselective. The specificity is derived chiefly from interactions of the pendant guanidinium groups with the DNA bases. For the racemates of 1-[Rh(GEB)(2)phi](5+) (GEB = (4-(2-guanidylethyl)-4'-methyl-2,2'-bipyridine) and 1-[Rh(GPB)(2)phi](5+) (GPB = (4-(2-guanidylpropyl)-4'-methyl-2,2'-bipyridine), photocleavage patterns also show the strongest site of photocleavage as 5'-CATCTG-3', the target site for Delta-1-[Rh(MGP)(2)phi](5+). Moreover, consistent with the dominance of the guanidinium groups in establishing specificity, significantly enhanced photocleavage is evident for the 1-positional isomer of these complexes, where the guanidinium moieties are directed toward the DNA (above and below the phi ligand) compared to the 2-isomer, in which the guanidinium groups are directed away from the DNA. In contrast to Lambda-1-[Rh(MGP)(2)phi](5+), Lambda-1-[Rh(GEB)(2)phi](5+) shows little cleavage at 5'-CATATG-3'; this sensitivity to linker length likely depends on the mode of recognition of 5'-CATATG-3' involving sequence-dependent unwinding of the DNA site. Analogous site-specificity or isomer-specificity is not evident with the complexes which contain pendant amido or amino functionalities. Instead these complexes appear to resemble the parent, unfunctionalized [Rh(phen)(2)phi](3+) with respect to recognition. Pendant guanidinium functionalities appear to be particularly advantageous in the construction of small molecules which bind DNA with site-specificity.
Application of the PCB-Embedding Technology to a 3.3 kW Power Factor Corrector (2019)

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