gebhart/patrepeval huggingface dataset:
State-resolved photodissociation of OCS monomers and clusters (1988)

Photodissociation of OCS in the region from 222–248 nm has been investigated by monitoring the CO and S(1D2) primary photoproducts; as well as the secondary production of S(3P2), S(3P1), and S(3P0) using fluorescence induced by a tunable vacuum ultraviolet laser source based on four-wave mixing in magnesium vapor. The quantum yield of S(3P) was found to be 0.00±0.02 at 222 nm. Thus, in contrast to our preliminary report, the present more detailed investigation shows that the sole sulfur product appears to be S(1D). The CO photofragment is produced almost exclusively in v=0 [CO(v=1)/ CO(v=0)≤0.02], but the rotational distribution is inverted and peaked at very high rotational levels. The peak shifts from J=56 for dissociation at 222 nm to J=31 at 248 nm. Doppler profiles of the CO rotational transitions reveal (1) that all observed levels are produced in coincidence with S(1D), (2) that for 222 nm photolysis the fragment recoil anisotropy shifts from a distribution characterized by β=1.9 at J=67 toward one characterized by β=0 near J=54, (3) that the CO velocity vector is aligned nearly perpendicular to its angular momentum vector, and (4) that the CO angular momentum vector is also aligned parallel to that component of the transition dipole which lies perpendicular to the recoil velocity. These results are interpreted in terms of a model for the dissociation in which excitation takes place to two surfaces of A′ and A″ symmetry derived from a bent 1Δ configuration. Dissociation of OCS clusters was also investigated and was found to produce a photochemistry completely different from that of the monomers. Rotationally cold CO as well as S2 in both the X3Σ−g and a1Δg states was observed.
An Islet-Specific Pulse of TGF-β Abrogates CTL Function and Promotes β Cell Survival Independent of Foxp3+ T Cells (2011)

Effective therapies that prevent chronic inflammation from developing into type 1 diabetes remain elusive. In this study, we show that expression of TGF-β for just 1 wk in inflamed islets of NOD mice significantly delays diabetes development. Time course studies demonstrated that the brief TGF-β pulse protects only if administered when extensive β cell destruction has occurred. Surprisingly, TGF-β-mediated protection is not linked to enhanced Foxp3(+) regulatory T cell activity or to decreased intrapancreatic presentation of islet Ags. Instead, TGF-β disables the transition of primed autoreactive CD8(+) T cells to cytotoxic effectors and decreases generation, or maintenance, of CD8(+) memory T cells within the pancreas, significantly impairing their diabetogenic capacity.
Deja Vu - Reja Vu; On knowledge-based approaches linking ligand and target information to bioactivity (2007)

Over the last decades several disciplines relevant to medicinal chemistry and preclinical drug discovery have made gigantic leaps; this includes chemistry, biology and measurement of bioactivity. Better techniques have led to massive amounts of data. Moreover, sources of chemical and bioactivity data have become available in the public domain. Hence there is a need for new techniques combining and mining these data sources. This thesis focuses on computational methods combining data from these disciplines and demonstrates that the sum of these methods leads to better quality predictions than models using the individual data sources. 

One of the techniques central in this thesis is proteochemometric modeling, a machine learning approach linking chemical descriptors and protein descriptors to a biologically relevant output variable. This output variable describes the activity of molecules on biological macromolecules and hence proteochemometric models can make relevant predictions for both unseen molecules and unseen macromolecules (e.g. novel viral mutants). 

Secondly we present a novel technique that is able to combine information from multiple crystal structures in such a way that shared and unique pharmacophoric features can be isolated and visualized. 

Approaches presented here have been validated prospectively and have been shown to be widely applicable.
Ultraprecision Fabrication of Large-Scale SiC Spherical Mirror Using ELID Grinding Process (2005)

Lightweight mirrors of SiC (Silicon Carbide) are currently used for numerous space telescopes. The most favorable characteristics of the material are high specific stiffness, high thermal conductivity and low thermal expansion (CTE). For large-scale SiC mirrors, however, the machining cost is very high using traditional polishing process. In this study, a large-scale SiC spherical mirror (φ360mm) was designed as reducing-weight structure with many open-back triangular cells. The ELID mirror grinding technique was conducted to finish the mirror. A unique jig composed of many hydrostatic actuators was developed for reducing the deformation resulted from the grinding force. By using an on-machine measurement system, the form error of the finished surface was measured. The surface roughness of the mirror was also examined with a mobile AFM. As result, a high quality mirror surface, which has form accuracy 0.8µm P-V and roughness of Ra 7.8nm, was achieved. This paper presents the experimental procedure and results.
The Association between Metabolic Syndrome or Chronic Kidney Disease and Hearing Thresholds in Koreans: The Korean National Health and Nutrition Examination Survey 2009-2012 (2015)

MetS is associated with hearing thresholds in women, and CKD is associated with hearing thresholds in men and women. Therefore, patients with MetS or CKD should be closely monitored for hearing impairment.
Macromol. Mater. Eng. 5/2018 (2018)

Back Cover: High performance cellulose fibers are manufactured from liquid crystalline solutions, using low molecular weight microcrystalline cellulose as raw material and dimethyl sulfoxide as a co-solvent with an ionic liquid. These fibers have great potential to be used as sustainable reinforcing fibers for composites as well as carbon fiber precursors. This work is reported by Chenchen Zhu, Anastasia F. Koutsomitopoulou, Stephen J. Eichhorn, Jeroen S. van Duijneveldt, Robert M. Richardson, Rinat Nigmatullin, and Kevin D. Potter in article number 1800029.
Heart rate variability dynamics during treatment for exertional heat strain when immediate response is not possible (2019)

Immediate cold water immersion (CWI) is the gold-standard treatment for exertional heatstroke. In the field, however, treatment is often delayed, primarily owing to a delayed paramedic response and/or inaccurate diagnosis. We examined the effect of treatment (reduction of rectal temperature to 37.5°C) delays of 5 (short), 20 (moderate) and 40 (prolonged) min on cardiac autonomic control [as assessed via heart rate variability (HRV)] in eight exertionally heat-strained (40.0°C rectal temperature) individuals. Eleven HRV indices were computed that have been described commonly in the literature and characterize almost all known domains of the variability and complexity of the cardiopulmonary system. We found that the cardiac autonomic control (as assessed via HRV) of exertionally heat-strained individuals was significantly affected by the amount of time it took for the CWI treatment to be applied. Six out of 11 HRV indices studied, from all variability domains, displayed strong (P ≤ 0.005) time × delay interaction effects. Moreover, the number of significantly (P ≤ 0.005) abnormal (i.e. different from the short delay) HRV indices more than doubled (seven versus 15) from the moderate delay to the prolonged delay. Finally, our results demonstrated that a CWI treatment applied with delays of 20 and, primarily, 40 min did not lead to a full restoration of cardiac autonomic control of exertionally heat-strained individuals. In conclusion, this study supports CWI for treating exertionally heat-strained individuals even when applied with prolonged delay, but it highlights the importance of continued cardiac monitoring of patients who have suffered exertional heatstroke for several hours after restoration of core temperature to normal.
Efficient Alkenation of Aldehydes and Ketones to α,β-Unsaturated Esters Using α,α-Bis(dimethylsilyl)-substituted Esters (2009)

Abstract α,α-Bis(dimethylsilyl)-substituted esters 1 were found to be quite valuable for alkenation of various aldehydes and ketones to α,β-unsaturated esters. The reaction of aldehydes with 1 proceeded spontaneously in DMSO at 30 °C to give α,β-unsaturated esters with good to high E selectivity. Under the same conditions, ketones were insensitive to 1; however, Li2SO4 and CaCl2 effectively accelerated their alkenation.
Vascular-decompression surgery for severe tinnitus. (1996)

Vascular compression of the eighth cranial nerve is increasingly recognised as a possible cause of incapacitating audiovestibular symptoms. There have been few reports of the efficacy of surgical microvascular decompression for tinnitus, and the practise is controversial. During the last 6 years, investigation by air computed tomography (CT) cisternography initially, and fast spin-echo magnetic resonance imaging (MRI) latterly has resulted in the diagnosis of cochlear nerve vascular compression in nine patients with a primary complaint of severe tinnitus who have subsequently undergone vascular-decompression surgery. The duration of symptoms ranged between 1 and 10 years, whilst their subjective tinnitus perception varied between 30 to 60 dB above threshold. Microvascular decompression was carried out by a retrolabyrinthine approach in four and by a retrosigmoid approach in the remaining five cases, with a postoperative follow-up of 1.3 to 5 years. Tinnitus was completely abolished in three (33%), very significantly improved to a sensation level of < or = 10 dB in four (33%), significantly improved to a level of 15 dB in one (11%), and unchanged in two (22%). Both failures had had tinnitus for 6 years and had transient abolition for 10 days after surgery. Subsequent revision decompression surgery was also unsuccessful. This small study suggests that cochleovestibular vascular compression may result in severe tinnitus, which can often be ameliorated surgically.
Endothelial function as an end-point in interventional trials: concepts, methods and current data (1996)

Endothelial function can now be assessed precisely in patients in vivo, in both the coronary and the peripheral circulation. Tests can detect early dysfunction in patients with a risk of cardiovascular disease and the possible effects of drugs on endothelial function. Large interventional trials are needed to establish how far endothelial dysfunction can or cannot predict clinical outcome.
rHox: A homeobox gene expressed in osteoblastic cells (1995)

Homeodomain proteins are characterized by a conserved domain with a helix-turn-helix motif. These proteins act as regulatory factors in tissue differentiation and proliferation. However, their role in the regulation of osteoblast differentiation is unknown. In this study we have identified and characterized a homeobox gene in osteoblast-like cells. This gene, termed rHox, was isolated from a cDNA library derived from rat osteoblast-like cells. The nucleotide sequence of the 1,375 base pair (bp) cDNA contains a noncoding leader sequence of 329 bp, a 735 bp open reading frame, and 312 bp of 3' noncoding sequence. Sequence comparison demonstrates that rHox is identical to the mouse Pmx gene (also called MHox) at the amino acid level and 90% homologous at the nucleotide level. Both Southwestern blotting and gel shift analyses indicate that rHox has potential to bind both the collagen I alpha 1 and the osteocalcin promoters. Transfection experiments using an rHox expression vector showed a strong repression of target promoter activity, regardless of whether the target promoters contained homeodomain binding response elements. These data suggest that rHox is a potent negative regulator of gene expression, although the specific role of rHox in bone gene regulation remains to be determined.
Efficient multiplexing scheme for wavelength-interleaved DWDM millimeter-wave fiber-radio systems (2005)

A simple multiplexing scheme is proposed and demonstrated with the capability to interleave optically modulated 37.5-GHz radio channels in a dense-wavelength-division-multiplexed fiber-radio system with 25-GHz wavelength spacing, and also enable a carrier subtraction technique that improves the overall link performance by reducing the carrier-to-sideband ratio of the multiplexed channels. The proposed scheme is realized by the use of an arrayed waveguide grating having multiple optical loop-backs between the input and the output ports.
Multiscale modeling of metabolism, flows, and exchanges in heterogeneous organs (2010)

Large-scale models accounting for the processes supporting metabolism and function in an organ or tissue with a marked heterogeneity of flows and metabolic rates are computationally complex and tedious to compute. Their use in the analysis of data from positron emission tomography (PET) and magnetic resonance imaging (MRI) requires model reduction since the data are composed of concentration-time curves from hundreds of regions of interest (ROI) within the organ. Within each ROI, one must account for blood flow, intracapillary gradients in concentrations, transmembrane transport, and intracellular reactions. Using modular design, we configured a whole organ model, GENTEX, to allow adaptive usage for multiple reacting molecular species while omitting computation of unused components. The temporal and spatial resolution and the number of species are adaptable and the numerical accuracy and computational speed is adjustable during optimization runs, which increases accuracy and spatial resolution as convergence approaches. An application to the interpretation of PET image sequences after intravenous injection of 13NH3 provides functional image maps of regional myocardial blood flows.
Enhancing web service selection using enhanced filtering model (2013)

The upward trends in web service providers, consumers as well as web services pose remarkable challenges in the area of web service description, discovery and selection. While remarkable works have been done in web service discovery, selection still remains an area of challenge. Therefore, emphasis is being placed on how to find an optimal service that satisfies requester’s functional and non-functional requirements. Majority of the existing approaches either ignore the role of user's non-functional requirements or place unnecessary burden on the requester to provide weights for QoS parameters having specified QoS constraints while others assigned arbitrary value of zero to the weight(s) of parameter(s) not specify in the constraints by requesters. All these have the tendency of generating bias results. This research work proposes an enhanced method for selecting optimal service for requesters using Enhanced QoS-based Web Service Filtering Model. The approach of this work differs from the previous approaches in that user’s preferences are taken into count, and the weights are derived from the constraints specified by the user. The methodology used involves exploiting requester’s specified QoS constraints to remove those services that failed in meeting those constraints from the list of services that match his functional requirement. The QoS of the filtered services are normalized using min-max method. The QoS score for each service is computed, and finally, the services are ranked in order of their QoS performance. The service with the highest QoS performance is then returned as best service to the requester. Experiments are conducted using Quality of Web Services datasets and the results confirm the model’s ability for selecting best web service based on requester’s preferences while out performing previous approaches. The outcome of this research could be adopted for solving service-oriented selection problems
The nucleus basalis of Meynert in neurological disease: A quantitative morphological study (1985)

The recent finding of neuronal degeneration in the nucleus basalis of Meynert (nbM) in Alzheimer's disease suggests a possible role of this nucleus and the cholinergic system in dementing illness. We assessed neuronal population and density in two anatomical levels of the nbM in 38 coded brains from patients with a broad variety of neurological disorders. We found the most striking nbM degeneration in Alzheimer's and Parkinson's diseases. An intermediate loss of neurons was noted in the transmissible dementia Creutzfeldt-Jakob disease and in progressive supranuclear palsy. The usually nondementing diseases amyotrophic lateral sclerosis and multiple sclerosis showed cell counts comparable to those in a control group of nondemented patients with cerebrovascular disease. Characteristic neuropathological changes of Alzheimer's, Parkinson's, and Creutzfeldt-Jakob diseases, progressive supranuclear palsy, and subacute sclerosing panencephalitis were also found in the nbM. Most previous studies of the nbM have been based on small numbers of cases compared with controls. In our large series we used consistent methodology and a multiple-comparison statistical procedure to avoid overreporting of statistical significance. Our comparison of the nbM not only confirms the marked degeneration of the nbM in Alzheimer's disease, but also places such degeneration into perspective in a spectrum of dementing and nondementing neurological diseases. Larger case studies, using appropriate statistical techniques for multiple group comparisons, are needed to establish the significance of nbM degeneration in neurological disease.
Agreement in Spins and Social Networks (2016)

We introduce a model of mutually influencing individuals who hold one of two opinions about some matter. This is similar to a system of particles that can have one of two spin states. The model considers N sub-systems where individuals stay for some time, and then move from one subnetwork to another independently of each other, or they may leave the overall network from any one of the sub-systems. They arrive externally to any sub-system according to independent Poisson processes. In each sub-system individuals can influence each other to align with their own opinion or spin, and their opinion can also fluctuate at random in either opinion. The system also allows for a bias or directional field in any of the sub-systems that influences the individuals or spins that are locally present. We show that even with a weak bias, when random fluctuations become small then all the individuals or spins in a given sub-network will align with probability one, to the opinion or spin direction represented by the bias or spin.
Compact resonator for low temperature NMR experiments (1990)

We describe the design of a modified split-ring resonator, especially suited to low-temperature experiments, which enables cavities with dimensions of order 1 cm to resonate at frequencies as low as a few hundred megahertz.
1,5,9-Tristannacyclododecanes as Lewis acids. Novel structure of a chloride complex (1989)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXT1,5,9-Tristannacyclododecanes as Lewis acids. Novel structure of a chloride complexKlaus. Jurkschat, Henry G. Kuivila, Shuncheng. Liu, and Jon A. ZubietaCite this: Organometallics 1989, 8, 12, 2755–2759Publication Date (Print):December 1, 1989Publication History Published online1 May 2002Published inissue 1 December 1989https://pubs.acs.org/doi/10.1021/om00114a003https://doi.org/10.1021/om00114a003research-articleACS PublicationsRequest reuse permissionsArticle Views156Altmetric-Citations85LEARN 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-AlertscloseSupporting Info (1)»Supporting Information Supporting Information Get e-Alerts
Synthesis of MCM-48 by a Phase Transformation Process (1997)

The ordered mesoporous silicate MCM-48 has been produced from MCM-41 by a phase transformation method, which involves heating the silicate samples while they are still incompletely polymerized. Ethanol, produced by hydrolysis of the silicate source TEOS, plays a crucial role in the transformation process. In this report, we examine samples produced using various combinations of stirring and heating times with XRD and 29Si MAS NMR and draw conclusions regarding the reasons for the transformation.
Intratumoral density of regulatory T cells is a predictor of host immune response and chemotherapy response in colorectal cancer. (2022)

Regulatory T cells (Tregs) are a subset of CD4+ T lymphocytes known to dampen the host immune response against cancer cells. Within the tumor microenvironment, Tregs are potent facilitators of immune tolerance, and a higher proportion of Tregs compared to cytotoxic T cells predicts a worse outcome in most solid tumors. We studied the association between Treg density, and cancer biology and clinical outcome in colorectal cancer (CRC). We used xCell to estimate intratumoral Tregs in total of 898 CRC patients in the Cancer Genome Atlas (TCGA) and GCE39582 cohorts. High-Treg CRCs enriched immune response-related gene sets; inflammatory response, IFN-γ and IFN-α response, IL2/IL6 signaling, and allograft rejection, and had significantly high infiltration of CD8, CD4, M1 and M2 macrophage, and dendritic cells in both cohorts. While high-Treg CRCs enriched multiple pro-cancer signaling pathways compared to low-Treg CRCs, such as Epithelial Mesenchymal Transition, K-ras, Hypoxia, TGF-β, TNF-α, and angiogenesis, Treg infiltration was surprisingly associated with earlier CRC stage in TCGA. Notably, in two separate cohorts a higher proportion of Tregs predicted an improved response to chemotherapy. In the GSE28702 cohort, metastatic CRCs with more Tregs showed a significantly better response to mFOLFOX6 versus low-Treg CRC metastases (88.9% response vs. 16.7%, P<0.001). In the GSE72970 cohort, high-Treg CRCs were found to have a 68.8% response to FOLFOX/FOLFIRI without bevacizumab, compared to 44% response in the low-Treg CRCs. Additionally, high-Treg CRCs were associated with increased expression of immune checkpoint molecules PD-L1/PD-L2, CTLA4, TIGIT and BTLA, implying susceptibility to immunotherapy. We also found that CRCs with higher proportions of Tregs were associated with lower amounts of three microorganisms in the tumor: Lachnoclostridium, flavivirus, and Ornithobacterium. In conclusion, we show that amount of Treg in the tumor is a predictor of host immune response and chemotherapy response in CRC.