gebhart/patrepeval huggingface dataset:
Preparation of Polystyrene Beads with Dendritically Embedded TADDOL and Use in EnantioselectiveLewis Acid Catalysis (2002)

A full account is given of the preparation and use of TADDOLates, which are dendritically incorporated in polystyrene beads (Scheme 1). A series of styryl-substituted TADDOLs with flexible, rigid, or dendritically branching spacers between the TADDOL core and the styryl groups (2–16 in number) has been prepared (5–7, 20, 21, 26 in Schemes 2–4 and Fig. 1–3). These were used as cross-linkers in styrene-suspension polymerization, leading to beads of ca. 400-μm diameter (Schemes 5 and 6, b). These, in turn, were loaded with titanate and used for the Lewis acid catalyzed addition of Et2Zn to PhCHO as a test reaction (Scheme 6). A comparison of the enantioselectivities and degrees of conversion (both up to 99%), obtained under standard conditions, shows that these polymer-incorporated Ti-TADDOLates are highly efficient catalysts for this process (Table 1). In view of the effort necessary to prepare the novel, immobilized catalysts, emphasis was laid upon their multiple use. The performance over 20 cycles of the test reaction was best with the polymer obtained from the TADDOL bearing four first-generation Fréchet branches with eight peripheral styryl groups (6, p-6, p-6⋅Ti(OiPr)2): the enantioselectivity (Fig. 4), the rate of reaction (Fig. 5), and the swelling factor (Fig. 6) were essentially unchanged after numerous operations carried out with the corresponding beads of 400-μm diameter and a degree of loading of 0.1 mmol TADDOLate/g polymer, with or without stirring (Fig. 7). The rate with the dendritically polymer-embedded Ti-TADDOLate (p-6⋅Ti(OiPr)2) was greater than that measured with the corresponding monomer, i.e., 6⋅Ti(OiPr)2 (Fig. 8). Possible interpretations of this phenomenon are proposed. A polymer-bound TADDOL, generated on a solid support (by Grignard addition to an immobilized tartrate ester ketal) did not perform well (Scheme 4 and Table 2). Also, when we prepared polystyrene beads by copolymerization of styrene, a zero-, first-, or second-generation dendritic cross-linker, and a mono-styryl-substituted TADDOL derivative, the performance in the test reaction did not rival that of the dendritically incorporated Ti-TADDOLate ((p-6⋅Ti(OiPr)2) (Scheme 7 and Fig. 10). Finally, we have applied the dendritically immobilized Cl2 and (TsO)2Ti-TADDOLate as chiral Lewis acid to preferentially prepare one enantiomer of the exo and the endo (3+2) cycloadduct, respectively, of diphenyl nitrone to 3-crotonoyl-1,3-oxazolidinone; in one of these reaction modes, we have observed an interesting conditioning of the catalyst: with an increasing number of application cycles, the amount of polymer-incorporated Lewis acid required to induce the same degree of enantioselectivity, decreased; the degrees of diastereo- and enantioselectivity were, again, comparable to those reported for homogeneous conditions (Fig. 9).
Interaction of highly vibrationally excited molecules with clean metal surfaces. Final technical report (1998)

The authors present results from a grant funded under the Department of Energy Office of Basic Energy Sciences. A collaboration between Prof. Alec Wodtke of the Department of Chemistry at UCSB and Daniel J. Auerbach of IBM Almaden Research Labs has allowed new experiments on the dynamics of surface chemical reactivity to be successfully executed. High quality data has been generated which provides an excellent test of theoretical models of surface reactivity, a topic of importance to catalysis. The authors have obtained the first experimental measurements on the influence of reactant velocity on the steric effect in a chemical reaction: the dissociative adsorption of hydrogen on copper. They have also designed and built a molecular beam scattering apparatus for the study of highly vibrationally excited molecules and their interactions with clean and oxidized metal surfaces. With this apparatus they have observed the vibrational energy exchange of highly vibrationally excited NO with an oxidized copper surface. Multi-quantum vibrational relaxation was found ({Delta}v = 1-5). Such remarkably strong and efficient vibrational energy transfer represents a qualitatively new phenomenon and is representative of the exciting new behavior that they had hoped might be observable in this project. Evidence of chemical reactivity of vibrationally excited NO on a clean copper surface was also found.
MOTION AND BIOMECHANICAL MODELS FOR IMAGE-GUIDED INTERVENTIONS (2007)

This paper describes recent progress in developing motion and biomechanical models for image guided interventions. The challenge is to provide navigational support for interventions and image directed therapies on soft or mobile structures. We describe our recent progress in generating and testing models of respiratory motion for image directed radiotherapy and focal ablation in the lung and liver, and the development of biomechanical models for image guided local excision in breast surgery.
Relationship between Oxidative Stress and Imatinib Resistance in Model Chronic Myeloid Leukemia Cells (2021)

Chronic myeloid leukemia (CML) develops due to the presence of the BCR-ABL1 protein, a target of tyrosine kinase inhibitors (TKIs), such as imatinib (IM), used in a CML therapy. CML eradication is a challenge due to developing resistance to TKIs. BCR-ABL1 induces endogenous oxidative stress leading to genomic instability and development of TKI resistance. Model CML cells susceptible or resistant to IM, as well as wild-type, non-cancer cells without the BCR-ABL1 protein were treated with IM, hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) as a model trigger of external oxidative stress, or with IM+H<sub>2</sub>O<sub>2</sub>. Accumulation of reactive oxygen species (ROS), DNA damage, activity of selected antioxidant enzymes and glutathione (GSH), and mitochondrial potential (MMP) were assessed. We observed increase in ROS accumulation in BCR-ABL1 positive cells and distinct levels of ROS accumulation in IM-susceptible cells when compared to IM-resistant ones, as well as increased DNA damage caused by IM action in sensitive cells. Depletion of GSH levels and a decreased activity of glutathione peroxidase (GPx) in the presence of IM was higher in the cells susceptible to IM. IM-resistant cells showed an increase of catalase activity and a depletion of MMP. BCR-ABL1 kinase alters ROS metabolism, and IM resistance is accompanied by the changes in activity of GPx, catalase, and alterations in MMP.
Experimental Design for Laser Produced Shocks in Diamond Anvil Cells (2001)

Laser driven shock measurements have been performed on pre-compressed samples. A diamond anvil cell (DAC) has been used to statically compress water to 1 GPa and then strong shocked with an energetic laser. The use of intense laser irradiation can drive shocks in targets making it possible to study the equation of state (EOS) of samples well into the hundreds of GPQ regime. Generally, such experiments employ a sample initially at normal density and standard pressure. Therefore providing data on the principal Hugoniot. In this experiment the initial state of the sample was varied to provide data off the principal Hugoniot. We report the work that was done on the Vulcan laser and describe a method to achieve off principal Hugoniot data.
Nucleobase difunctionalized .beta.-cyclodextrins. Preparation and spectral observation of base stacking and the hydrogen-bonded nucleic acid base pair (1986)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTNucleobase difunctionalized .beta.-cyclodextrins. Preparation and spectral observation of base stacking and the hydrogen-bonded nucleic acid base pairKatsuyuki Nagai, Kenji Hayakawa, Shigeo Ukai, and Ken KanematsuCite this: J. Org. Chem. 1986, 51, 21, 3931–3939Publication Date (Print):October 1, 1986Publication History Published online1 May 2002Published inissue 1 October 1986https://pubs.acs.org/doi/10.1021/jo00371a003https://doi.org/10.1021/jo00371a003research-articleACS PublicationsRequest reuse permissionsArticle Views107Altmetric-Citations10LEARN 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 Get e-Alerts
HIV-1-Infected and Immune-Activated Macrophages Induce Astrocytic Differentiation of Human Cortical Neural Progenitor Cells via the STAT3 Pathway (2011)

Diminished adult neurogenesis is considered a potential mechanism in the pathogenesis of HIV-1-associated dementia (HAD). In HAD, HIV-1-infected and immune-activated brain mononuclear phagocytes (MP; perivascular macrophages and microglia) drive central nervous system (CNS) inflammation and may alter normal neurogenesis. We previously demonstrated HIV-1-infected and lipopolysaccharide (LPS) activated monocyte-derived macrophages (MDM) inhibit human neural progenitor cell (NPC) neurogenesis, while enhancing astrogliogenesis through the secretion of the inflammatory cytokines such as tumor necrosis factor-alpha (TNF-α), in vitro and in vivo. Here we further test the hypothesis that HIV-1-infected/activated MDM promote NPC astrogliogenesis via activation of the transcription factor signal transducer and activator of transcription 3 (STAT3), a critical factor for astrogliogenesis. Our results show that LPS-activated MDM-conditioned medium (LPS-MCM) and HIV-infected/LPS-activated MDM-conditioned medium (LPS+HIV-MCM) induced Janus kinase 1 (Jak1) and STAT3 activation. Induction of the Jak-STAT3 activation correlated with increased glia fibrillary acidic protein (GFAP) expression, demonstrating an induction of astrogliogenesis. Moreover, STAT3-targeting siRNA (siSTAT3) decreased MCM-induced STAT3 activation and NPC astrogliogenesis. Furthermore, inflammatory cytokines (including IL-6, IL-1β and TNF-α) produced by LPS-activated and/or HIV-1-infected MDM may contribute to MCM-induced STAT3 activation and astrocytic differentiation. These observations were confirmed in severe combined immunodeficient (SCID) mice with HIV-1 encephalitis (HIVE). In HIVE mice, siRNA control (without target sequence, sicon) pre-transfected NPCs injected with HIV-1-infected MDM showed more astrocytic differentiation and less neuronal differentiation of NPCs as compared to NPC injection alone. siSTAT3 abrogated HIV-1-infected MDM-induced astrogliogenesis of injected NPCs. Collectively, these observations demonstrate that HIV-1-infected/activated MDM induces NPC astrogliogenesis through the STAT3 pathway. This study generates important data elucidating the role of brain inflammation in neurogenesis and may provide insight into new therapeutic strategies for HAD.
Computerized neurocognitive profile in young people with 22q11.2 deletion syndrome compared to youths with schizophrenia and At‐Risk for psychosis (2011)

Adults with 22q11.2 Deletion syndrome (22q11DS) have increased prevalence of schizophrenia features. Our goal is to compare the neurocognitive profile in 22q11DS, schizophrenia and individuals at risk for schizophrenia. Twenty-one 22q11DS patients (8-32 years, mean 14.9 years, 15M, 6F) were matched to four comparison groups on age: low risk (n = 21), first-degree family members of schizophrenia patients (genetic risk, n = 20), individuals exhibiting putatively prodromal symptoms (clinical risk, n = 19), and patients with schizophrenia (n = 21). All participants received semi-structured interviews [Diagnostic Interview for Genetic Studies (DIGS) and the Structured Interview for Prodromal Syndromes (SIPS)], and a computerized neurocognitive battery (CNB) measuring the following domains: Abstraction and Mental Flexibility, Attention, Working Memory, Verbal Memory, Face Memory, Spatial Memory, Language, Spatial Processing, Sensorimotor Dexterity, and Emotion Processing. Sixty percent of 22q11DS participants met SIPS criteria for prodromal symptoms and one participant met criteria for paranoid schizophrenia. Thirty-eight percent met criteria for Depressive Disorders. All 22q11DS participants successfully completed the CNB. 22q11DS participants were significantly less accurate in nearly all domains, but had similar speed of response compared to the other groups. Their profile resembled that of the psychosis groups in accuracy and speed, except for more pronounced deficits in accuracy for face memory and emotion processing. Subthreshold psychotic symptoms are present in a high proportion of 22q11DS participants. Deficits shown in the CNB are more pronounced for accuracy than speed relative to the psychosis groups with similar profiles. Similar deficits have been described in the 22q11DS population using non-computerized measures, which require increased testing time.
Discovery of 5′-Substituted 5-Fluoro-2′-deoxyuridine Monophosphate Analogs: A Novel Class of Thymidylate Synthase Inhibitors (2023)

5-Fluorouracil and 5-fluorouracil-based prodrugs have been used clinically for decades to treat cancer. Their anticancer effects are most prominently ascribed to inhibition of thymidylate synthase (TS) by metabolite 5-fluoro-2'-deoxyuridine 5'-monophosphate (FdUMP). However, 5-fluorouracil and FdUMP are subject to numerous unfavorable metabolic events that can drive undesired systemic toxicity. Our previous research on antiviral nucleotides suggested that substitution at the nucleoside 5'-carbon imposes conformational restrictions on the corresponding nucleoside monophosphates, rendering them poor substrates for productive intracellular conversion to viral polymerase-inhibiting triphosphate metabolites. Accordingly, we hypothesized that 5'-substituted analogs of FdUMP, which is uniquely active at the monophosphate stage, would inhibit TS while preventing undesirable metabolism. Free energy perturbation-derived relative binding energy calculations suggested that 5'(<i>R</i>)-CH<sub>3</sub> and 5'(<i>S</i>)-CF<sub>3</sub> FdUMP analogs would maintain TS potency. Herein, we report our computational design strategy, synthesis of 5'-substituted FdUMP analogs, and pharmacological assessment of TS inhibitory activity.
Peripheral artery disease and clinical outcomes in patients with atrial fibrillation: A report from the FANTASIIA registry (2020)

In a large cohort of anticoagulated patients with AF, the presence of PAD represents a higher risk subgroup and is associated with worse crude outcomes. The exact contribution of the PAD independently of other cardiovascular diseases or risk factors requires further investigation.
Escherichia coli heat-stable enterotoxins, guanylins, and their receptors: what are they and what do they do? (1995)

STa represents a family of homologous heat-stable peptide toxins that are elaborated by a variety of bacteria capable of causing enteric disease in human beings. All these peptides have a tertiary structure, maintained by disulfide bridges, which is required for receptor occupancy and biologic activity. The toxins have highly homologous carboxy-terminal domains and variable differences at the amino-terminal domain. The amino-terminal domain of these various peptides is not required for biologic activity. Recently an endogenous ligand called guanylin has been extracted from mammalian intestine and shown to bind the STa receptor. A similar peptide, called uroguanylin, has been found in human and animal urine. It is likely that guanylin and uroguanylin are indeed endogenous ligands for the STa receptor and may be modulators of Cl- secretion in the intestine, kidney, and perhaps in other organs. The STa-guanylin receptors are located on enterocytes, colonocytes, and various extraintestinal tissues. These receptors are one of a family of transmembrane guanylate cyclases that have homologous intracytoplasmic domains but divergent extracellular domains. It is likely that the extracellular domains of these various receptor cyclases confer specificity for ligand binding. Although GC-C, the STa receptor, may also be a receptor for guanylin, other receptors may exist that may be more specific for guanylin.(ABSTRACT TRUNCATED AT 250 WORDS)
Elevated MGAT3 expression in ovarian cancer cells is epigenetically regulated by DNA hypomethylation (2014)

Introduction: We have identified by mass spectrometry complex glycan structures comprising a unique bisecting GlcNAc (N-acetylgucosamine) motif exclusively on serous ovarian cancer cells. Bisecting GlcNAc on N-glycosylated proteins is a unique product of the beta-1,4-N-acetylglucosaminyltransferase 3, MGAT3. The function of MGAT3 and bisecting GlcNAc in tumorigenesis is unclear, since both oncogenic and tumor suppressive functions have been described. Our aim is to investigate the molecular basis of dysregulated MGAT3 expression in ovarian cancer cells.
Reduced concentrations of HIV-RNA and TNF-alpha coexist in CSF of AIDS patients with progressive multifocal leukoencephalopathy (1999)

These results, while indicating a reduced HIV replication in CSF of patients with PML which might serve as a disease marker, emphasise the increased CSF HIV-RNA concentration in patients with HIVE and patients with non-PML opportunistic infections. Low concentrations of HIV-RNA in CSF coincide with reduced TNF-alpha concentrations, possibly due to particular features of PML compared with other opportunistic infections as it develops without detectable inflammatory changes in the CSF.
The effect of syntactic phrase indexing on retrieval performance for Dutch texts (1997)

In this paper we describe an experiment with syntactic phrase indexing for Dutch texts. We compare different choices for combining terms to form head-modifier pairs and we also investigate the effect of adding none, one, or all constituent parts of the pair as a separate index term. The results of our experiments show that using head-modifier pairs as index terms can improve both recall and precision significantly but only if all constituent parts are also added separately. We found that using both Noun-Adjective and Noun-Noun head-modifier pairs produced the best results. Keywords Natural language processing; syntactic phrase indexing; head-modifier pairs; Dutch. 1 Introduction The work described in this paper is part of the UPLIFT project 1 . UPLIFT investigates whether linguistic tools can improve and extend the functionality of vector space text retrieval systems. This paper describes an experiment with syntactic phrase indexing for Dutch texts. The basic idea behind phrase i...
An intelligent framework for activity led learning in network planning and management (2014)

Monitoring students’ activity and performance is vital to enable educators to provide effective teaching and learning to engage students with the subject and improve their understanding of the material. We describe the use of a fuzzy linguistic summarisation (LS) technique for extracting linguistically interpretable rules from student data describing prominent relationships between activity/engagement characteristics and achieved performance. We propose an intelligent framework for monitoring individual or group performance during activity and problem-based learning tasks. The proposed system is developed as a set of services to cater for data heterogeneity and deployable on a cloud computing platform. We present a case study and experiments in which we apply the fuzzy LS technique for analysing the effectiveness of using a group performance model (GPM) to deploy activity led learning (ALL) in a master-level module. Results show that the fuzzy rules can identify useful relationships between student engagement and performance.
Musculoskeletal Literacy in Orthopedics: Associated Factors, Effects on Patient-Physician Communication and Intervention Strategies. (2023)

Health literacy is defined as the degree to which an individual obtains and processes basic health information and services so as to make appropriate and informed health decisions. Limited health literacy (LHL), as assessed by various validated instruments, remains prevalent amongst older adult patients, non-Caucasian ethnicities, and those of lower socioeconomic backgrounds. Of concern, LHL has been associated with decreased medical knowledge, disuse of preventative medical services, worse chronic disease control and increased use of emergency services. Within orthopedics specifically, LHL has been associated with lower expectations regarding outcomes and ambulation following total hip and knee surgery and fewer questions asked regarding diagnosis and treatment in the outpatient care setting. In some cases, LHL has been independently correlated with worse patient-reported outcome measures (PROMs), though this finding may be due in part to the reading level required of the PROMs. There is growing evidence that active intervention by the orthopedic provider and demonstration of empathy improves patient comprehension of the nature of their musculoskeletal complaints, aids informed decision-making and, ultimately, maximizes patient satisfaction. Recognition of the associated factors for LHL will ensure improved physician-patient communication through the implementation of health literate interventions focused on those most at-risk.
Global marine biodiversity in the context of achieving the Aichi Targets: ways forward and addressing data gaps (2019)

In 2010, the Conference of the Parties of the Convention on Biological Diversity agreed on the Strategic Plan for Biodiversity 2011-2020 in Aichi Prefecture, Japan. As this plan approaches its end, we discussed whether marine biodiversity and prediction studies were nearing the Aichi Targets during the 4th World Conference on Marine Biodiversity held in Montreal, Canada in June 2018. This article summarises the outcome of a five-day group discussion on how global marine biodiversity studies should be focused further to better understand the patterns of biodiversity. We discussed and reviewed seven fundamental biodiversity priorities related to nine Aichi Targets focusing on global biodiversity discovery and predictions to improve and enhance biodiversity data standards (quantity and quality), tools and techniques, spatial and temporal scale framing, and stewardship and dissemination. We discuss how identifying biodiversity knowledge gaps and promoting efforts have and will reduce such gaps, including via the use of new databases, tools and technology, and how these resources could be improved in the future. The group recognised significant progress toward Target 19 in relation to scientific knowledge, but negligible progress with regard to Targets 6 to 13 which aimed to safeguard and reduce human impacts on biodiversity.