gebhart/patrepeval huggingface dataset:
Power of Infrared and Raman Spectroscopies to Characterize Metal-Organic Frameworks and Investigate Their Interaction with Guest Molecules (2020)

The variety of functionalities and porous structures inherent to metal-organic frameworks (MOFs) together with the facile tunability of their properties makes these materials suitable for a wide range of existing and emerging applications. Many of these applications are based on processes involving interaction of MOFs with guest molecules. To optimize a certain process or successfully design a new one, a thorough knowledge is required about the physicochemical characteristics of materials and the mechanisms of their interaction with guest molecules. To obtain such important information, various complementary analytical techniques are applied, among which vibrational spectroscopy (IR and Raman) plays an important role and is indispensable in many cases. In this review, we critically examine the reported applications of IR and Raman spectroscopies as powerful tools for initial characterization of MOF materials and for studying processes of their interaction with various gases. Both the advantages and the limitations of the technique are considered, and the cases where IR or Raman spectroscopy is preferable are highlighted. Peculiarities of MOFs interaction with specific gases and some inconsistent band assignments are also emphasized. Summarizing the broad analytical possibilities of the IR and Raman spectroscopies, we conclude that it can be applied in combinations with other techniques to explicitly establish the structure, properties, and reactivity of MOFs.
A Quantitative Study of the Interactions of <i>Bacillus anthracis</i> Edema Factor and Lethal Factor with Activated Protective Antigen (2000)

Bacillus anthracis secretes three proteins, which associate in binary combinations to form toxic complexes at the surface of mammalian cells. Receptor-bound protective antigen (PA) is proteolytically activated, yielding a 63 kDa fragment (PA(63)). PA(63) oligomerizes into heptamers, which bind edema factor (EF) or lethal factor (LF) to form the toxic complexes. We undertook a quantitative analysis of the interactions of EF with PA(63) by means of surface plasmon resonance (SPR) measurements. Heptameric PA(63) was covalently bound by amine coupling to an SPR chip, or noncovalently bound via a C-terminal hexahistidine tag on the protein to Ni(2+)nitrilotriacetate groups on the chip. Values of k(on) and k(off) for EF at 23 degrees C were approximately 3 x 10(5) M(-)(1) s(-)(1) and (3-5) x 10(-)(4) s(-)(1), respectively, giving a calculated K(d) of (1-2) x 10(-)(9) M. A similar value of K(d) (7 x 10(-)(10) M) was obtained when we measured the binding of radiolabeled EF to receptor-bound PA(63) on the surface of L6 cells (at 4 degrees C). Each of these analyses was also performed with LF and LF(N) (the N-terminal 255 residues of LF), and values obtained were comparable to those for EF. The similarity in the dissociation constants determined by SPR and by measurements on the cell surface suggests that the presence of the receptor does not play a large role in the interaction between PA(63) and EF/LF.
A comparison of methods for the estimation of plasma low- and very low-density lipoprotein cholesterol. The Lipid Research Clinics Prevalence Study. (1986)

Using data from over 10 000 men, women, and children who participated in the Lipid Research Clinics prevalence studies, we have examined the formula adopted by Friedewald et al for estimating plasma or serum concentrations of low-density lipoprotein cholesterol (LDL-C) when (for economy, or in the absence of an ultracentrifuge) only fasting total cholesterol (TC), high-density lipoprotein cholesterol (HDL-C), and triglyceride (TG) concentrations are measured in milligrams per liter, ie, LDL-C = TC-(HDL-C + 0.20 X TG). Values for LDL-C obtained by use of the Friedewald formula were compared with values derived from the Lipid Research Clinics ultracentrifugal procedure for LDL-C, which was used as a reference. Participants who were pregnant, who had not fasted, or whose plasma contained chylomicrons or floating beta-lipoproteins were excluded. We concluded that a better estimator for LDL-C was provided by the equation LDL-C = TC-(HDL-C + 0.16 X TG), since it produced an error (relative to the reference method) of lesser magnitude than the previous formula. The expression 0.16 X TG (0.37 X TG when measurements are reported in millimoles per liter) also produced a more accurate estimate of very low-density lipoprotein cholesterol relative to values obtained by the standard Lipid Research Clinics procedure for this component. The proposed formula is more precise for plasmas or sera with a TG concentration within the normal range.
New, Simple Maltogenic Assay for Mechanized Determination of Alpha-Amylase Activity in Serum and Urine (1975)

We report a new method for the mechanized determination of serum and urinary alpha-amylase by use of a continuous-flow system, based on the measurement of maltose formed by incubating the sample with amylodextrin at pH 7 and 40 degrees C. After dialysis, maltose is converted enzymatically to glucose, which is measured by Trinder's glucose oxidase-peroxidase method [J. Clin. Pathol. 22, 246 (1969)]. The reaction is linear for amylase activities up to 1400 Somogyi units/dl (2560 U/liter) and for maltose concentrations through 1500 mg/dl. No blank assay is required; consequently precision is improved and the automated system is simplified. Calibration with primary maltose standards increases accuracy and reliability. Common reducing substances in serum and urine do not interfere at their normal concentrations. There is a linear correlation between the results of this method and those of chromogenic and iodometric methods for normal and pathologic sera and urines. The chromogenic method yields significantly higher results and the iodometric method significantly lower results than this maltogenic method for elevated amylase activities. The normal range is 40-140 Somogyi units/dl (73-256 U/liter).
Assay conditions for the mitochondrial NADH:coenzyme Q oxidoreductase (1993)

The assay of Complex I activity requires the use of artificial acceptors, such as short-chain coenzyme Q homologs and analogs, because the physiological quinones, such as CoQ10, are too insoluble in water to be added as substrates to the assay media. The medical interest raised in the last years on the pathological changes of Complex I activity has focussed on the requirement of easy reliable assays for its analysis. We have undertaken a systematic examination of the assay conditions of Complex I in mitochondrial membranes, using a series of quinones as electron acceptors, particularly the coenzyme Q homologs CoQ0, CoQ1 and CoQ2, and the analogs duroquinone and decylubiquinone. Our findings have pointed out that the most suitable electron acceptor for the NADH:CoQ reductase assay is the homolog CoQ1. The analog DB, commercially available, although yielding a high activity, nevertheless causes some problems for the standardization of the assay conditions.
High-density CMOS ROM arrays (1977)

A single transistor cell and a precharge signal are used to reduce the memory cell area in bulk CMOS ROM arrays to 1.12 mil/SUP 2//bit. Use of SOS/CMOS technology further reduces the memory cell area to 0.38 mil/SUP 2//bit and makes possible CMOS ROMs of up to 32768 bits. Operation of both the array and the decoders is controlled by a precharge signal which is generated internally in a way which is transparent to the user. The CMOS ROMs thus produced are competitive with NMOS ROMs in both density and speed, yet retain all of the advantages of static CMOS circuits such as 1-/spl mu/W power dissipation, full 2.8-15 V voltage operating range, and full -55/spl deg/C-125/spl deg/C temperature range.
Die oxidative Spaltung von Pseudobasen 2-α-alkylierter 2,3-Cycloalkenopyridinium-Salze / Oxidative Cleavage of Pseudobases from 2-α-Alkylated 2,3-Cycloalkenopyridinium Salts (1986)

In contrast to former assumptions pyridinium salts with a tertiary 2-α-C-atom like 2 a and 16 are not oxidized to pyridinium-carbinol intermediates during alkaline hexacyanoferrate(III) oxidation because 10 yields the pyridones 11 and 12, both missing after oxidation of 2a. The title compounds 2 show the same reactivity against alkaline hexacyanoferrate(III). The pseudobases 14 suffer ring fission simultaneously forming the pyridones 6-8. 4 and 5 were characterized as further oxidation products of 2.
Experimental determination of photostability and fluorescence‐based detection of PAHs on the Martian surface (2012)

Abstract– Even in the absence of any biosphere on Mars, organic molecules, including polycyclic aromatic hydrocarbons (PAHs), are expected on its surface due to delivery by comets and meteorites of extraterrestrial organics synthesized by astrochemistry, or perhaps in situ synthesis in ancient prebiotic chemistry. Any organic compounds exposed to the unfiltered solar ultraviolet spectrum or oxidizing surface conditions would have been readily destroyed, but discoverable caches of Martian organics may remain shielded in the subsurface or within surface rocks. We have studied the stability of three representative polycyclic aromatic hydrocarbons (PAHs) in a Mars chamber, emulating the ultraviolet spectrum of unfiltered sunlight under temperature and pressure conditions of the Martian surface. Fluorescence spectroscopy is used as a sensitive indicator of remaining PAH concentration for laboratory quantification of molecular degradation rates once exposed on the Martian surface. Fluorescence‐based instrumentation has also been proposed as an effective surveying method for prebiotic organics on the Martian surface. We find the representative PAHs, anthracene, pyrene, and perylene, to have persistence half‐lives once exposed on the Martian surface of between 25 and 60 h of noontime summer UV irradiation, as measured by fluorescence at their peak excitation wavelength. This equates to between 4 and 9.6 sols when the diurnal cycle of UV light intensity on the Martian surface is taken into account, giving a substantial window of opportunity for detection of organic fluorescence before photodegradation. This study thus supports the use of fluorescence‐based instrumentation for surveying recently exposed material (such as from cores or drill tailings) for native Martian organic molecules in rover missions.
A programmable mixed-signal ASIC for data acquisition systems in medical implants (1995)

The ASIC was developed as the central component in an implantable data acquisition system, its first application being as an implant for the acquisition of ECG, heart muscle elasticity and electrolyte composition data of transplanted hearts. It allows daily monitoring of tissue rejection at the patient's home, using an RF link to a small receiver (local host) that forwards the data to a remote hospital computer via a modem.
On Content Models for Proximity Services (2019)

First time introduced in Release 12 of the 3GPP specifications, Proximity Services (ProSe in the above-mentioned specification) is a Device-to-Device (D2D) technology that allows two devices to detect each other and to communicate directly without traversing the Base Station or core network. In other words, it is a technology that is oriented (ultimately) on the direct connection of two devices. In this article, we are promoting the idea that proximity services are more than just support for a direct connection (in fact, search for candidates for a direct connection). The paper discusses content models (that is, information dissemination models) based on proximity data. In this case, a direct connection is simply one of the possible options for disseminating information.
New Synthetic Way for the Preparation of 1,3,2-Oxathiaphospholane or 1,3,2-Oxathiaphosphorinane 2-Sulfide Derivatives (1994)

Abstract 1,3,2-oxathia-phospholane or -phosphorinane 2-sulfide derivatives 2 and 3 are readily accessible by reaction of the triethylammonium salts 1 of diesters of the phosphorotetrathioic acid with ω-bromo alcohols under mild conditions.
Challenges to transforming it in the us government (2003)

Nearly seven years ago, the US Congress passed the Clinger-Cohen Act (CCA) to revolutionize IT management in federal agencies. So, where is the e-government? This article describes how federal agencies currently incorporate CCA. It analyzes the Act's effectiveness, and proposes practices to improve its implementation. Ultimately, the success of IT transformation in the US government depends on IT governance within federal agencies and across the federal government.
Antiviral potential of human IFN-α subtypes against influenza A H3N2 infection in human lung explants reveals subtype-specific activities (2019)

Influenza is an acute respiratory infection causing high morbidity and mortality in annual outbreaks worldwide. Antiviral drugs are limited and pose the risk of resistance development, calling for new treatment options. IFN-α subtypes are immune-stimulatory cytokines with strong antiviral activities against IAV <i>in vitro</i> and <i>in vivo.</i> However, the clinical use of IFN-α2, the only licensed subtype of this multi-gene family, could not prevent or limit IAV infections in humans. However, the other subtypes were not investigated.Therefore, this study evaluated the induction and antiviral potential of all human IFN-α subtypes during H3N2 IAV infection in human lung explants. We found that subtypes with weak antiviral activities were preferentially induced during IAV infection in human lungs. Intriguingly, non-induced subtypes α16, α5 and α4 suppressed viral replication up to 230-fold more efficiently than α2. Furthermore, our results demonstrate that subtypes with stronger antiviral activities induce higher expression of IAV-specific restriction factors and that MxA expression is a determinant of the subtype-specific antiviral activity towards H3N2 IAV. These results corroborate that IFN-α subtypes exhibit differential antiviral activities and emphasize that subtypes α16, α5 and α4 should be further investigated for the prevention and treatment of severe infections with seasonal H3N2 IAV.
Structure of pvu II DNA-(cytosine N4) methyltransferase, an example of domain permutation and protein fold assignment (1997)

We have determined the structure of Pvu II methyltransferase (M. Pvu II) complexed with S -adenosyl-L-methionine (AdoMet) by multiwavelength anomalous diffraction, using a crystal of the selenomethionine-substituted protein. M. Pvu II catalyzes transfer of the methyl group from AdoMet to the exocyclic amino (N4) nitrogen of the central cytosine in its recognition sequence 5'-CAGCTG-3'. The protein is dominated by an open alpha/beta-sheet structure with a prominent V-shaped cleft: AdoMet and catalytic amino acids are located at the bottom of this cleft. The size and the basic nature of the cleft are consistent with duplex DNA binding. The target (methylatable) cytosine, if flipped out of the double helical DNA as seen for DNA methyltransferases that generate 5-methylcytosine, would fit into the concave active site next to the AdoMet. This M. Pvu IIalpha/beta-sheet structure is very similar to those of M. Hha I (a cytosine C5 methyltransferase) and M. Taq I (an adenine N6 methyltransferase), consistent with a model predicting that DNA methyltransferases share a common structural fold while having the major functional regions permuted into three distinct linear orders. The main feature of the common fold is a seven-stranded beta-sheet (6 7 5 4 1 2 3) formed by five parallel beta-strands and an antiparallel beta-hairpin. The beta-sheet is flanked by six parallel alpha-helices, three on each side. The AdoMet binding site is located at the C-terminal ends of strands beta1 and beta2 and the active site is at the C-terminal ends of strands beta4 and beta5 and the N-terminal end of strand beta7. The AdoMet-protein interactions are almost identical among M. Pvu II, M. Hha I and M. Taq I, as well as in an RNA methyltransferase and at least one small molecule methyltransferase. The structural similarity among the active sites of M. Pvu II, M. Taq I and M. Hha I reveals that catalytic amino acids essential for cytosine N4 and adenine N6 methylation coincide spatially with those for cytosine C5 methylation, suggesting a mechanism for amino methylation.
Examining micro-payments for participatory sensing data collections (2010)

The rapid adoption of mobile devices that are able to capture and transmit a wide variety of sensing modalities (media and location) has enabled a new data collection paradigm - participatory sensing. Participatory sensing initiatives organize individuals to gather sensed information using mobile devices through cooperative data collection. A major factor in the success of these data collection projects is sustained, high quality participation. However, since data capture requires a time and energy commitment from individuals, incentives are often introduced to motivate participants. In this work, we investigate the use of micro-payments as an incentive model. We define a set of metrics that can be used to evaluate the effectiveness of incentives and report on findings from a pilot study using various micro-payment schemes in a university campus sustainability initiative.
Beyond the Venn diagram: the hunt for a core microbiome (2011)

Discovering a core microbiome is important for understanding the stable, consistent components across complex microbial assemblages. A core is typically defined as the suite of members shared among microbial consortia from similar habitats, and is represented by the overlapping areas of circles in Venn diagrams, in which each circle contains the membership of the sample or habitats being compared. Ecological insight into core microbiomes can be enriched by 'omics approaches that assess gene expression, thereby extending the concept of the core beyond taxonomically defined membership to community function and behaviour. Parameters defined by traditional ecology theory, such as composition, phylogeny, persistence and connectivity, will also create a more complex portrait of the core microbiome and advance understanding of the role of key microorganisms and functions within and across ecosystems.
Antioxidant Nanoparticles (2011)

Poor water solubility of new chemical entities has reached a high level of importance in the pharmaceutical world. The formulation of these challenging drug candidates required the implementation of novel drug delivery technologies over the last 30 years. The need for new technological approaches has arisen from the applications of novel drug discovery methods, such as high throughput screening and computer-aided drug design. However, the large number of poorly soluble compounds is also a result of novel diseases with novel molecular targets, which require often more lipophilic structures for a better receptor fi tting and membrane permeability (Rabinow 2004).
The Mdm2 Oncoprotein Interacts with the Cell Fate Regulator Numb (1998)

The Mdm2 oncoprotein is a well-known inhibitor of the p53 tumor suppressor, but it may also possess p53-independent activities. In search of such p53-independent activities, the yeast two-hybrid screen was employed to identify Mdm2-binding proteins. We report that in vitro and in transfected cells, Mdm2 can associate with Numb, a protein involved in the determination of cell fate. This association causes translocation of overexpressed Numb into the nucleus and leads to a reduction in overall cellular Numb levels. Through its interaction with Numb, Mdm2 may influence processes such as differentiation and survival. This could potentially contribute to the altered properties of tumor cells which overexpress Mdm2.
Intelligent Robot Vision System For Inspection And Assembly Of Submillimeter-Sized Components (1987)

We have developed a system which handles submillimeter semiconductor devices in an autonomous assembly and inspection task. The devices, 0.50 x 0.25 mm in size, are taken from a random orientation on a dish and mounted individually on a mounting fixture to an accuracy of 2 gm in the critical direction. Components used to accomplish this task include high precision X-Y-Z stages, a long-travel stage, two cameras with different fields of view and appropriate optics, and a vacuum pickup capable of handling the devices. The entire system is controlled and programmed by a computer vision system. We will discuss the ways in which computer vision, by providing feedback of positional information, has allowed us to accomplish the accurate hand-eye coordination necessary for the task. Vision is used for system self-alignment and self-calibration as well as for automatic parts inspection and positioning. Using multiple fields of view, each device in turn is positioned to micron accuracy before handling by the vacuum pickup. The angular orientation is calculated for subsequent correction, and Z positioning is calculated using an autofocusing routine. For this application automatic focusing is accomplished by expressing the Z position as a polynomial function of the object area, which is minimum at focus. The robot system components are relatively inexpensive and could significantly reduce the cost of manufacturing semiconductor laser diodes.
Rhodium-Catalyzed Arylzincation of Alkynes: Ligand Control of 1,4-Migration Selectivity (2018)

The addition of arylzinc reagents ArZnCl 1 to alkynes 2 was found to be catalyzed by rhodium complexes in the presence of a catalytic amount of zinc chloride. The selectivity in giving 2-arylalkenylzinc species 3 or ortho-alkenylarylzinc species 4, the latter of which is generated through 1,4-Rh migration from alkenyl to aryl in the catalytic cycle, is controlled by the ligands on rhodium. Ligands cod and binap gave 3 and 4, respectively, with high selectivity.
Motion vector processing using the color information (2009)

In this paper, we investigate color distribution around object edges and further exploit this information for motion vector reliability analysis. Since the motion vectors are often estimated only based on luminance component, the resulting motion vectors may become unreliable for the areas with similar intensity. By making use of the color information for the received residual energy calculation, these unreliable motion vectors can effectively be identified. Moreover, the motion boundaries can be easily detected due to stronger residual energy distribution on the object boundaries. This characteristic can also be used to assist the motion vector processing in motion-compensated frame interpolation so that the interpolated object structures can be well maintained. Experimental results show that using same motion vector processing approach but with additional consideration on color information outperforms other methods.
Visual Accommodation and Virtual Image Displays: Target Detection and Recognition (1986)

Twelve subjects performed a complex task, detecting and recognizing small targets presented at infinity, while simultaneously monitoring a virtual image display (VID). The VID was presented at one of four optical distances (2.0, 0.5, 0.0, and-0.5 D). Optical distance was found to affect detection and recognition performance, mainly at the extreme value of 2.0 D. Interactions between optical distance and grouping of subjects according to measures of accommodation indicated that the three other optical distances affect performance differentially. The subjects' resting position of accommodation (RPA) and a combined measure of accommodation range and RPA were significantly correlated with performance (0.58). A narrowing of the functional visual field (complete misses of peripheral targets) was found at the 2.0-D optical distance for all subjects, and at the other optical distances for the subjects with an inferior accommodative mechanism (i.e., a near RPA and/or a narrow accommodation range).