gebhart/patrepeval huggingface dataset:
Prediction of CO2 Adsorption Properties in Zeolites Using Force Fields Derived from Periodic Dispersion-Corrected DFT Calculations (2012)

We demonstrate a new approach to develop transferable force fields describing molecular adsorption in zeolites by combining dispersion-corrected density functional theory (DFT) calculations and classical atomistic simulations. This approach is illustrated with the adsorption of CO2 in zeolites. Multiple dispersion-corrected DFT methods were tested for describing CO2 adsorption in sodium-exchanged ferrierite. The DFT-D2 approach was found to give the best agreement with high level quantum chemistry results and experimental data. A classical force field for CO2 adsorption in siliceous zeolites was then developed on the basis of hundreds of DFT-D2 calculations that probed the full range of accessible volume in purely siliceous chabazite (Si-CHA) via random sampling. We independently performed experiments with Si-CHA measuring CO2 isotherms and heats of adsorption by microcalorimetry. Excellent agreement was obtained between adsorption isotherms predicted with our first-principles-derived force field and our experiments. The transferability of this force field was examined using available adsorption isotherms for CO2 in siliceous MFI and DDR zeolites, again with reasonably good agreement between calculated and experimental results. The methods demonstrated by these calculations will be broadly applicable in using molecular simulations to predict properties of adsorbed molecules in zeolites and other nanoporous materials.
Comparative Evaluation of FGF-2–, VEGF-A–, and VEGF-C–Induced Angiogenesis, Lymphangiogenesis, Vascular Fenestrations, and Permeability (2004)

Several endothelial growth factors induce both blood and lymphatic angiogenesis. However, a systematic comparative study of the impact of these factors on vascular morphology and function has been lacking. In this study, we report a quantitative analysis of the structure and macromolecular permeability of FGF-2–, VEGF-A–, and VEGF-C–induced blood and lymphatic vessels. Our results show that VEGF-A stimulated formation of disorganized, nascent vasculatures as a result of fusion of blood capillaries into premature plexuses with only a few lymphatic vessels. Ultrastructural analysis revealed that VEGF-A–induced blood vessels contained high numbers of endothelial fenestrations that mediated high permeability to ferritin, whereas the FGF-2–induced blood vessels lacked vascular fenestrations and showed only little leakage of ferritin. VEGF-C induced approximately equal amounts of blood and lymphatic capillaries with endothelial fenestrations present only on blood capillaries, mediating a medium level of ferritin leakage into the perivascular space. No endothelial fenestrations were found in FGF-2–, VEGF-A–, or VEGF-C–induced lymphatic vessels. These findings highlight the structural and functional differences between blood and lymphatic vessels induced by FGF-2, VEGF-A, and VEGF-C. Such information is important to consider in development of novel therapeutic strategies using these angiogenic factors.
SYBASE SQL Server 11 DBA Survival Guide, with CD-ROM (1996)

From the Publisher:
Updated and revised, this second edition provides the latest information on the Sybase Database system. Database administrator's will be able to optimize their systems and learn time-saving techniques that will make them expert administrators.
Teaches readers how to increase database performance
Explains time-saving performance and optimization techniques
CD-ROM includes source code from the book and the Aurora utility
The tumor macroenvironment and systemic regulation of breast cancer progression (2011)

Breast cancer is the most common malignancy among women worldwide and is the most common cause of death for women between 35 and 50 years of age. Women with breast cancer are at risk of developing metastases for their entire lifetime and, despite local and systemic therapies, approximately 30% of breast cancer patients will relapse (Jemal et al., 2010). Nearly all breast cancer related deaths are due to metastatic disease, even though metastasis is considered to be an inefficient process. In some cases, tumor cells disseminate from primary sites at an early stage, but remain indolent for protracted periods of time before becoming overt, life-threatening tumors. Little is known about the mechanisms that cause these indolent tumors to grow into malignant disease. Because of this gap in our understanding, we are unable to predict which breast cancer patients are likely to experience disease relapse or develop metastases years after treatment of their primary tumor. A better understanding of the mechanisms and signals involved in the exit of tumor cells from dormancy would not only allow for more accurate selection of patients that would benefit from systemic therapy, but could also lead to the development of more targeted therapies to inhibit the signals that promote disease progression. In this review, we address the systemic, or "macroenvironmental", contribution to tumor initiation and progression and what is known about how a pro-tumorigenic systemic environment is established.
Molecular Identification and Characterization of Two Medium-chain Acyl-CoA Synthetases, MACS1 and the Sa Gene Product (2001)

In this study, we identified and characterized two murine cDNAs encoding medium-chain acyl-CoA synthetase (MACS). One, designated MACS1, is a novel protein and the other the product of the Sa gene (Sa protein), which is preferentially expressed in spontaneously hypertensive rats. Based on the murine MACS1 sequence, we also identified the location and organization of the human MACS1 gene, showing that the human MACS1 and Sa genes are located in the opposite transcriptional direction within a 150-kilobase region on chromosome 16p13.1. Murine MACS1 and Sa protein were overexpressed in COS cells, purified to homogeneity, and characterized. Among C4-C16 fatty acids, MACS1 preferentially utilizes octanoate, whereas isobutyrate is the most preferred fatty acid among C2-C6 fatty acids for Sa protein. Like Sa gene transcript, MACS1 mRNA was detected mainly in the liver and kidney. Subcellular fractionation revealed that both MACS1 and Sa protein are localized in the mitochondrial matrix. (14)C-Fatty acid incorporation studies indicated that acyl-CoAs produced by MACS1 and Sa protein are utilized mainly for oxidation.
Recent Studies of Nucleophilic, General-Acid, and Metal Ion Catalysis of Phosphate Diester Hydrolysis (1999)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTRecent Studies of Nucleophilic, General-Acid, and Metal Ion Catalysis of Phosphate Diester HydrolysisAndrei Blaskó and Thomas C. BruiceView Author Information Department of Chemistry, University of California, Santa Barbara, California 93106 Cite this: Acc. Chem. Res. 1999, 32, 6, 475–484Publication Date (Web):February 10, 1999Publication History Received17 July 1998Published online10 February 1999Published inissue 1 June 1999https://pubs.acs.org/doi/10.1021/ar980060yhttps://doi.org/10.1021/ar980060yresearch-articleACS PublicationsCopyright © 1999 American Chemical SocietyRequest reuse permissionsArticle Views941Altmetric-Citations115LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose SUBJECTS:Hydrolysis,Ions,Metals,Oxygen,Phosphates Get e-Alerts
Thin, lightweight, foldable thermochromic displays on paper (2009)

This article describes an electronic display that is fabricated by patterning electrically conductive wires (heaters) with micron-scale dimensions on one side of a sheet of paper, and thermochromic ink on the opposite side. Passing electrical current through the wires heats the paper and changes the thermochromic ink from colored (black, green, or other colors) to transparent; this change in property reveals the paper underneath the ink-exposing any messages printed on the paper-and serves as the basis for a two-state "shutter" display. This type of display is thin (100 microm), flat, lightweight (the display weighs <20 mg/cm(2)), can be folded, rolled, twisted, and creased while maintaining function, and ultimately can (if required) be disposed of by incineration. The display is appropriate for applications where information must be presented clearly (usually only once) for little cost (each display costs <$0.10/m(2) in materials) and where limited electrical power is available.
Brucella Evades Macrophage Killing via VirB-dependent Sustained Interactions with the Endoplasmic Reticulum (2003)

The intracellular pathogen Brucella is the causative agent of brucellosis, a worldwide zoonosis that affects mammals, including humans. Essential to Brucella virulence is its ability to survive and replicate inside host macrophages, yet the underlying mechanisms and the nature of the replicative compartment remain unclear. Here we show in a model of Brucella abortus infection of murine bone marrow-derived macrophages that a fraction of the bacteria that survive an initial macrophage killing proceed to replicate in a compartment segregated from the endocytic pathway. The maturation of the Brucella-containing vacuole involves sustained interactions and fusion with the endoplasmic reticulum (ER), which creates a replicative compartment with ER-like properties. The acquisition of ER membranes by replicating Brucella is independent of ER-Golgi COPI-dependent vesicular transport. A mutant of the VirB type IV secretion system, which is necessary for intracellular survival, was unable to sustain interactions and fuse with the ER, and was killed via eventual fusion with lysosomes. Thus, we demonstrate that live intracellular Brucella evade macrophage killing through VirB-dependent sustained interactions with the ER. Moreover, we assign an intracellular function to the VirB system, as being required for late maturation events necessary for the biogenesis of an ER-derived replicative organelle.
Pharmacokinetics of apomorphine in parkinsonian patients (1993)

Apomorphine, a dopamine agonist, has been used efficiently in parkinsonian patients to treat severe levodopa-induced on-off phenomenon. Motor improvement has been obtained both with continuous subcutaneous (SC) infusions, and multiple SC injections. So as to assist in the understanding of the clinical results, we studied the peripheral pharmacokinetics of apomorphine in 20 patients after intravenous (IV) or SC injections in the anterior abdominal wall and in the thigh at various doses, or SC infusion. Plasma apomorphine levels were measured by high-performance liquid chromatography with electrochemical detection. After an SC injection in the abdominal wall, the Tmax was brief (16 +/- 11 min) the drug was rapidly cleared from the plasma and had a short plasma half-life (69.7 +/- 25.8 min). The AUC was similar following SC and IV injections, suggesting that apomorphine was completely absorbed from subcutaneous tissue. Inter-subject variability in drug absorption was large. We noticed a trend towards a more complete absorption following injection in the abdominal wall rather than in the thigh. In patients chronically treated by continuous SC infusion, the apparent plasma half-life was five times longer than that following SC or IV injections. These pharmacokinetic data may explain the rapid onset and brief duration of clinical effects, and the usefulness of individual titration for intermittent SC apomorphine injections, and the smoother motor response obtained with continuous SC infusions.
Autonomously motile catalytic nanomotors by bubble propulsion (2009)

A bubble propulsion model based on catalyzed hydrogen peroxide decomposition and momentum change via O2 bubbles detaching from the catalytic surface is proposed to explain the autonomous motion of catalytic nanomotors. The propelling force closely depends upon the surface tension of the liquid as well as the bulk concentration of hydrogen peroxide, and the model predictions are supported by the experimental data of Pt-coated spherical silica microbead motors.
Relationship between self‐seeded and epitaxial crystallization from polymer solutions: A potentially new method for molecular weight separation and a new decoration method for alkali halides (1970)

Abstract It was established that polyethylene and polyoxymethylene crystallize epitaxially on NaCl cleavage faces over a temperature range in which the usual polymer single crystals dissolve but a crystallization memory remains due to very small quantities of self‐seeding nuclei persisting in the solution. By performing this epitaxial crystallization in the presence of self‐seeding nuclei, it could be established that epitaxial crystallization at these elevated temperatures involves only the very largest molecules in the distribution. Further, the self‐seeding nuclei themselves could be isolated for observation, and these results were found consistent with previous predictions. By utilizing both the adhesion of these nuclei to NaCl and the selective nature of the epitaxial crystallization, the largest molecules could be extracted and reintroduced again to the same or different solutions. This opens up the possibility of a novel kind of chromatography for the separation and characterization of the highest molecular weight end of a distribution to a sensitivity which cannot be approached by other methods. The epitaxy phenomenon itself, under the circumstances involved, provides a new decoration method for the study of the surface topography of alkali halides. The origin of such as epitaxy occurring at low supercoolings and terminating at a limiting thickness raises important questions regarding long‐range forces and some unsettled features in the theory of chain‐folded crystal growth in polymers.
Stacked 3-dimensional 6T SRAM cell with independent double gate transistors (2009)

A stacked three-dimensional six transistor SRAM cell using a novel vertical slit field effect transistor with two independently controlled gates is proposed. A compact stacked 3D memory cell topology with a highly regular layout is presented and a significant memory cell area reduction can be achieved. Utilization of independent double gate transistors enhances the robustness for read and write operation. The trade-off for the use of independently controlled gates to increase the cell stability is discussed.
우리나라 군조직의 e-Learning 활성화 방안 (2011)

본 연구는 우리 군 장병의 e-Leafning 교육 활성화를 위한 정책적 대안을 제시하고자 하였다. 이러한 연구의 목적 달성을 위하여 현재 e-Leaming 교육에 대한 설문조사를 통해 우리나라 군 조직에 서의 e-Ieafning 교육의 문제점을 분석하고 이러한 분석을 토대로 우리 군 장병의 e-Leaming 교육 활성화를 위한 정책적 대안을 제언하였다. 첫째, 제도적인 측면에서 군조직 환경에 맞는 새로운 이러닝 시스템의 개발 및 구축이 필요하다. 둘째, 군 이러닝의 운영에 따른 문제를 사전에 예방할 수 있도록 보완시스템의 구축과 더불어 인식 교육이 철저히 이루어져야 할 것이다. 셋째, 군 이러닝의 운영과 내용이 군 현실에 부합되고 이러닝 학습자의 요구에 맞게 구성되어야 할 것이다, 넷째, 이러닝 과정 운영 측면에 있어서도 이러닝 학습자의 과제가치가 수강할 과정을 선택하는 데에 충분히 반영될 수 있도록 해주어야 할 것이다. 다섯째, 기술적인 측면에서 이러닝 학습장비, 시설, 이용환경 등을 확대하여 이러닝 교육이 일부 한정된 지역이나 계충에게만 제공되는 것이 아니라 전군적인 차원에서 진행할 수 있도록 하여야 할 것이다.
Prophylactic Infusions of Phenylephrine and Ephedrine during Combined Spinal Epidural Anaesthesia for Caesarean Section: A Comparative Study (2013)

Background: Hypotension is the most common adverse effect in parturients after spinal anaesthesia for Caesarean section. Despite various pharmacological and non-pharmacological methods used in its prevention and treatment, vasopressors have become very important in the management of this form of hypotension.
Objective: This study was aimed at comparing the efficacy and safety of prophylactic intravenous infusions of phenylephrine and ephedrine at preventing maternal hypotension during Combined Spinal Epidural anaesthesia (CSE) for Caesarean section.
Methods: Sixty ASA I and II patients scheduled for elective Caesarean section, were randomly allocated into two groups. Patients in Group I received Phenylephrine 80 μg/min while patients in Group II received Ephedrine 1 mg/min immediately after the subarachnoid 10 mg plain bupivacaine injection while the epidural catheter was being inserted and secured. All the patients received a crystalloid preload of 1 litre of 0.9% normal saline prior to the induction of CSE.
Results: The overall incidence of hypotension was 8.5% (6.7% in the phenylephrine group and 10.3% in the ephedrine groups). The lowest systolic (105.8 ± 9.2 mmHg) and diastolic arterial pressures (60.9 ± 8.9 mmHg) occurred in the ephedrine group while the lowest heart rates occurred in the phenylephrine group. The mean umbilical artery pH was 7.3 while Apgar scores at 1st and 5th min were essentially the same in the two groups.
Conclusion: Prophylactic intravenous infusions of phenylephrine and ephedrine are safe and effective at reducing the incidence and severity of hypotension during combined spinal epidural anaesthesia for elective Caesarean section with no associated neonatal acidosis.
PolyCube-Maps (2004)

Standard texture mapping of real-world meshes suffers from the presence of seams that need to be introduced in order to avoid excessive distortions and to make the topology of the mesh compatible to the one of the texture domain. In contrast, cube maps provide a mechanism that could be used for seamless texture mapping with low distortion, but only if the object roughly resembles a cube. We extend this concept to arbitrary meshes by using as texture domain the surface of a polycube whose shape is similar to that of the given mesh. Our approach leads to a seamless texture mapping method that is simple enough to be implemented in currently available graphics hardware.
Anti-CD14 mAb treatment provides therapeutic benefit after in vivo exposure to endotoxin (1998)

The presence of endotoxin from Gram-negative bacteria signals the innate immune system to up-regulate bacterial clearance and/or killing mechanisms. Paradoxically, such responses also contribute to septic shock, a clinical problem occurring with high frequency in Gram-negative septicemia. CD14 is a receptor for endotoxin (lipopolysaccharide, LPS) and is thought to have an essential role in innate immune responses to infection and thereby in the development of septic shock. Using a novel rabbit model of endotoxic shock produced by multiple exposures to endotoxin, we show that anti-rabbit CD14 mAb, which blocks LPS-CD14 binding, protects against organ injury and death even when the antibody is administered after initial exposures to LPS. In contrast, anti-rabbit tumor necrosis factor mAb treatment fails to protect when administered after LPS injections. These results support the concept that anti-CD14 treatment provides a new therapeutic window for the prevention of pathophysiologic changes that result from cumulative exposures to LPS during septic shock in man.
Synthesis, X‐ray crystal structure determination and antiinflammatory activity of the regioisomers: 5‐phenyl‐6‐(4‐pyridyl)‐2,3‐dihydroimidazo[2,1‐b]thiazole and 6‐phenyl‐5‐(4‐pyridyl)‐2,3‐dihydroimidazo[2,1‐b]thiazole. A structural reassignment (1991)

Abstract A regiospecific synthesis of 6‐phenyl‐5‐(4‐pyridyl)‐2,3‐dihydroimidazo[2,1‐ b ]thiazole ( 2 ) was accomplished by treatment of 6‐phenyl‐2,3‐dihydroimidazo[2,1‐ b ]thiazole ( 10 ) with the reactive complex of pyridine and ethyl chloroformate followed by oxidation with chromium(VI) oxide. Reaction of 4‐phenyl‐5‐(4‐pyridyl)imidazole‐2‐thione ( 12 ) with 1,2‐dibromoethane in the presence of base also gave 2 together with its regioisomer 3 . The structures of 2 and 3 were confirmed by X‐ray crystallography. Evaluation, on oral administration, in a one hour arachidonic acid‐induced mouse ear inflammation assay, showed the inhibition of edema by 2 (48%) and 3 (34%) to be less than that of the 6‐(4‐fluorophenyl) analog 1 (SK&amp;/F 86002) (69%), a known antiinflammatory agent.
Temporal gene expression and probiotic attributes of Lactobacillus acidophilus during growth in milk (2009)

Lactic acid bacteria have been used as starter strains in the production of fermented dairy products for centuries. Lactobacillus acidophilus is a widely recognized probiotic bacteria commonly added to yogurt and used in dietary supplements. In this study, a whole genome microarray was employed to monitor gene expression of L. acidophilus NCFM cells propagated in 11% skim milk during early, mid and late logarithmic phase, and stationary phase. Approximately 21% of 1,864 open reading frames were differentially expressed at least in one time point. Genes differentially expressed in skim milk included several members of the proteolytic enzyme system. Expression of prtP (proteinase precursor) and prtM (maturase) increased over time as well as several peptidases and transport systems. Expression of Opp1 (oligopeptide transport system 1) was highest at 4 h, whereas gene expression of Opp2 increased over time reaching its highest level at 12 h, suggesting that the 2 systems have different specificities. Expression of a 2-component regulatory system, previously shown to regulate acid tolerance and proteolytic activity, also increased during the early log and early stationary phases of growth. Expression of the genes involved in lactose utilization increased immediately (5 min) upon exposure to milk. The acidification activity, survival under storage conditions, and adhesion to mucin and Caco-2 tissue culture cells of selected mutants containing insertionally inactivated genes differentially expressed in the wild-type strain during growth in milk were examined for any potential links between probiotic properties and bacterial growth and survival in milk. Some of the most interesting genes found to be expressed in milk were correlated with signaling (autoinducer-2) and adherence to mucin and intestinal epithelial cells, in vitro.
APC Stimulated by CpG Oligodeoxynucleotide Enhance Activation of MHC Class I-Restricted T Cells (2000)

Oligonucleotides containing unmethylated CpG motifs (cytosine-phosphorothioate-guanine oligodeoxynucleotide (CpG ODN)) are potent immunostimulatory agents capable of enhancing the Ag-specific Th1 response when used as immune adjuvants. We evaluated the cellular mechanisms responsible for this effect. Development of a CTL response was enhanced when mice were immunized with peptide-pulsed dendritic cells (DCs) treated with CpG ODN. However, in vitro, CpG ODN had no direct effect on highly purified T cells. In vitro, CpG ODN treatment of peptide- or protein-pulsed DCs enhanced the ability of the DCs to activate class I-restricted T cells. The presence of helper T cells enhanced this effect, indicating that treatment with CpG ODN does not obviate the role of T cell help. The enhanced ability of CpG ODN-treated DCs to activate T cells was present but blunted when DCs derived from IL-12 knockout mice were used. Fixation of Ag-pulsed, CpG ODN-treated DCs limited their ability to activate T cells. In contrast, fixation had little effect on DC activation of T cells when DCs were not exposed to CpG ODN. This indicates that production of soluble factors by DCs stimulated with CpG ODN plays a particularly important role in their ability to activate class I-restricted T cells. We conclude that CpG ODN enhances the development of a cellular immune response by stimulating APCs such as DCs, to produce IL-12 and other soluble factors.