gebhart/patrepeval huggingface dataset:
Multiobjective genetic algorithms for multiscaling excited state direct dynamics in photochemistry (2006)

This paper studies the effectiveness of multiobjective genetic and evolutionary algorithms in multiscaling excited state direct dynamics in photochemistry via rapid reparameterization of semiempirical methods. Using a very limited set of ab initio and experimental data, semiempirical parameters are reoptimized to provide globally accurate potential energy surfaces, thereby eliminating the need for full-fledged ab initio dynamics simulations, which are very expensive. Through reoptimization of the semiempirical methods, excited-state energetics are predicted accurately, while retaining accurate ground-state predictions. The results show that the multiobjective evolutionary algorithm consistently yields solutions that are significantly better---up to 230% lower error in the energy and 86.5% lower error in the energy-gradient---than those reported in the literature. Multiple high-quality parameter sets are obtained that are verified with quantum dynamical calculations, which show near-ideal behavior on critical and untested excited state geometries. The results demonstrate that the reparameterization strategy via evolutionary algorithms is a promising way to extend direct dynamics simulations of photochemistry to multi-picosecond time scales.
High Catalytic Activity of Heteropolynuclear Cyanide Complexes Containing Cobalt and Platinum Ions: Visible‐Light Driven Water Oxidation (2015)

Abstract A near‐stoichiometric amount of O 2 was evolved as observed in the visible‐light irradiation of an aqueous buffer (pH 8) containing [Ru II (2,2′‐bipyridine) 3 ] as a photosensitizer, Na 2 S 2 O 8 as a sacrificial electron acceptor, and a heteropolynuclear cyanide complex as a water‐oxidation catalyst. The heteropolynuclear cyanide complexes exhibited higher catalytic activity than a polynuclear cyanide complex containing only Co III or Pt IV ions as C‐bound metal ions. The origin of the synergistic effect between Co and Pt ions is discussed in relation to electronic and local atomic structures of the complexes.
Characterization of Saccharomyces cerevisiae deficient in expression of phospholipase D (1996)

A gene encoding phospholipase D (PLD) in Saccharomyces cerevisiae was identified. The 195 kDa product of PLD1 has 24% overall sequence identity with a plant PLD. Expression of yeast PLD activity was eliminated by one-step gene disruption. Yeast haploids lacking PLD activity were deficient in growth on non-fermentable carbon sources. Diploids lacking expression of PLD1 were unable to sporulate.
Synthesis of porphyrin-steroid conjugates (2016)

Steroids linked to porphyrin fluorophores are being developed to improve the selectivity of photosensitizers for photodyanamic therapy and fluorescence imaging of steroid-hormone positive cancers. A number of porphyrin derivatives substituted with one or two steroid moieties coupled via a 17[Formula: see text]-ethynyl group of estradiol, testosterone and 19-nortestosterone were synthesized using Pd(II) as a catalyst.
Towards an analytical framework for understanding the development of a quality assurance system in an international joint programme (2017)

This paper intends to construct an analytical framework for understanding quality assurance in international joint programmes and to test it in a case analysis of a European–Chinese joint doctoral degree programme. The development of a quality assurance system for an international joint programme is understood as an institutionalization process of an organizational innovation, and the institutionalization process is also interpreted as a process of reconciling different institutional logics in the institutional changes. Based on these understandings, in the paper we construct an analytical framework by combining insights on conceptions of quality, the institutional logics perspective, and organizational innovation studies. The framework constructed aims mainly to tackle two issues: first, changes in multiple institutional logics underlying the quality assurance system, and second, factors facilitating/impeding the logics changes in the institutionalization process. In the empirical analysis, we take an international joint doctoral programme between a Chinese university and a Portuguese university as an example to analyse the initiation and implementation of a quality assurance system in the programme. While developing a system accommodating the traditions and needs of both sides is not an easy task, we found that several factors, namely profitability, compatibility and the agency of institutional entrepreneurs, may facilitate the process.
Medical student interactions with cancer patients: Evaluation with videotaped interviews (1984)

In order to evaluate the impact of a block in cancer medicine upon student interactions with cancer patients, a group of 32 students have been videotaped during interviews with simulated and genuine cancer patients before and after the block. The videotapes were scored and analyzed for frequencies and patterns of interactions by the method of Reciprocal Category Analysis. This disclosed significant decreases in purely factual questions by the students, with corresponding increases in discussion of emotional aspects of illness, following the course. The temporal pattern of interaction also changed with less of a tendency to delay or avoid addressing emotional aspects of disease noted. In addition to demonstrating changes in student interactions with cancer patients following a didactic course, this study exemplifies an approach offering more direct assessment of physician-patient interactions than has been practical using questionnaires.
Ferdinand Klostermann, Rolf Zerfaß (Hrsg.): Praktische Theologie heute. Unter Mitarbeit von Ludwig Bertsch, Norbert Greinacher, Alois Müller, Yorick Spiegel. Chr. Kaiser Verlag München, Matthias-Grünewald-Verlag Mainz 1974, 703 pp (1978)

"Ferdinand Klostermann, Rolf Zerfaß (Hrsg.): Praktische Theologie heute. Unter Mitarbeit von Ludwig Bertsch, Norbert Greinacher, Alois Müller, Yorick Spiegel. Chr. Kaiser Verlag München, Matthias-Grünewald-Verlag Mainz 1974, 703 pp" published on 01 Jan 1978 by Brill.
The Effect of Sarcopenia on Postoperative Outcomes Following Emergency Laparotomy: A Systematic Review and Meta-Analysis (2023)

Emergency laparotomy procedures have high rates of postoperative mortality and morbidity in older patient. Sarcopenia is associated with poor postoperative outcomes in elective surgeries and there is growing evidence for its use as a risk predictor in the emergency setting. The study aimed to evaluate the effect of sarcopenia on postoperative mortality and morbidity following emergency laparotomy. Five electronic databases were systematically searched (MEDLINE, EMBASE, CINAHL, Cochrane Central Register of Controlled Trials, and Web of Science) from conception until the 14th February 2022. All prospective cohort studies were included. Risk of bias was assessed with the Newcastle-Ottawa score. Pooled meta-analyses were estimated using the Mantel-Haenszel and inverse-generic variance method for mortality and morbidity outcomes. Eleven retrospective cohort studies were included, of which ten were included in the meta-analysis comprising of 3492 patients (1027 sarcopenic, 2465 non-sarcopenic). The study level incidence of sarcopenia ranged from 24.6 to 50.3% with a median rate of 25.1%. Sarcopenia was associated with increased 30-day mortality (OR 2.36, 95% CI, 1.66, 3.37, I2 = 43%), 90-day mortality (OR 2.51, 95% CI, 1.79, 3.52, I2 = 0%), and length of hospital stay (in days) (MD 1.18, 95% CI, 0.42, 1.94, I2 = 0%, P=0.002), but not incidence of postoperative major complications (OR 1.49, 95% CI, 0.86, 2.56, I2 = 70%, P = 0.15). Sarcopenia predicts poor outcomes following emergency laparotomy. We suggest assessment of sarcopenia should be incorporated into acute surgical assessment to identify high risk patients and inform clinical decision-making prior to an emergency laparotomy.
Gene therapy reduces Parkinson’s disease symptoms by reorganizing functional brain connectivity (2018)

Gene therapy is emerging as a promising approach for treating neurological disorders, including Parkinson's disease (PD). A phase 2 clinical trial showed that delivering glutamic acid decarboxylase (<i>GAD</i>) into the subthalamic nucleus (STN) of patients with PD had therapeutic effects. To determine the mechanism underlying this response, we analyzed metabolic imaging data from patients who received gene therapy and those randomized to sham surgery, all of whom had been scanned preoperatively and at 6 and 12 months after surgery. Those who received <i>GAD</i> gene therapy developed a unique treatment-dependent polysynaptic brain circuit that we termed as the <i>GAD</i>-related pattern (GADRP), which reflected the formation of new polysynaptic functional pathways linking the STN to motor cortical regions. Patients in both the treatment group and the sham group expressed the previously reported placebo network (the sham surgery-related pattern or SSRP) when blinded to the treatment received. However, only the appearance of the GADRP correlated with clinical improvement in the gene therapy-treated subjects. Treatment-induced brain circuits can thus be useful in clinical trials for isolating true treatment responses and providing insight into their underlying biological mechanisms.
Retinal Vascular Layers in Macular Telangiectasia Type 2 Imaged by Optical Coherence Tomographic Angiography (2014)

As evidenced by the patients in this study, important retinal vascular changes in MacTel 2 occur in the deep capillary plexus of the retina, a layer poorly visualized by fluorescein angiography and, to a lesser extent, in the inner vascular plexus. The proliferation of vessels in the outer and subretinal spaces may be in part compensatory for poor retinal perfusion by established vascular layers in the retina.
Theoretical evaluation of transport interventions: A case study of the Nottingham workplace parking levy (2019)

&lt;p&gt;Theoretical approaches to evaluation provide a framework for\nunderstanding, testing and refining the assumed connections between an\nintervention and their anticipated impacts. This takes into account relevant\nexogenous contextual changes, as and when they occur, by considering how they\nwill impact on the theory underlying the intervention and thus seeks to assess\nto what extent change is due to intervention rather than other factors. They provide\nan explanation as to why and how change has occurred. Such an approach is therefore\nparticularly appropriate to initiatives which are complex and or innovative in\nnature or could be influenced by many variables. Theoretical Evaluation (TE) has\nbeen used for many social and health initiative evaluations, its application however,\nwithin the transport sector is relatively new, but is now included in guidance\non transport evaluation by the UK government.&lt;/p&gt;\n\n&lt;p&gt;The aim of this paper is to present the case study of the use of\nTE in relation to the Nottingham Workplace Parking Levy (WPL) and assess the\nsuitability of TE as a tool for such evaluations. (The WPL is a levy on parking\nprovided by employers. It acts as a transport demand management measure with\nthe revenue hypothecated for funding wider transport improvements.)&lt;/p&gt;\n\n&lt;p&gt;The paper introduces the WPL, and briefly reviews approaches to evaluation.\nThe paper then focuses on the case study of the evaluation of the WPL using TE.\nThe paper concludes, based on the literature and the case study, that a\ncombination of two TE approaches, ‘Theory of Change’ and ‘Realistic Evaluation’,\nis an appropriate framework for evaluating complex transport interventions like\nthe WPL. It shows this approach has been useful in the evaluation of the\nNottingham WPL by identifying the level to which this scheme has achieved its\nobjectives. &lt;/p&gt;
Ion beams replace chrome plating (1995)

Metal ion implantation is the process of altering surface properties by bombarding with high-energy metal ions. Because the process does not produce a coating, dimensions and bulk properties of the part remain unchanged, and implanted surfaces have no problems with adhesion, residual stress, or poor microstructure. Implanted surfaces can provide wear and/or corrosion resistance comparable with, or superior to, chrome plating. Furthermore, it is a relatively low-temperature process, which enables treatment of materials such as plastics, aluminum, and low-alloy steel. Furthermore, the performance of coatings can be improved by bombarding with ions during or after the coating process. Specifically, high-energy ions applied during deposition have been shown to reduce the required temperature for physical vapor deposition (PVD) systems, overcoming one of the major obstacles to replacing chromium plating with PVD coatings. This article will review the latest advances in metal-ion implantation equipment, with particular reference to economics and applications.
Access control taxonomy for social networks (2011)

Social networks are online platforms where users form relationships with others by sharing resources. Access control for these social networks is different from other systems as it fulfills the social requirements of community as well as the technical requirements of the system. This paper presents a classification of access control models for social networks based on lattice taxonomy where axes represent the properties of the models. The proposed taxonomy has eight axes representing: requestor identity, mapping authority, resource control, relationship management, credential distribution, access control decisions, rights delegation and transparency. Analysis of existing models using this taxonomy highlights the tradeoffs between user control, state distribution and social needs. The taxonomy reveals that various interesting features of social networks have not been implemented yet and there is a gap between the social requirements and access control features of social networks.
Overview of Animal Models of Obesity (2012)

The focus of this overview is on the animal models of obesity most commonly utilized in research. The models include monogenic models in the leptin pathway, polygenic diet-dependent models, and, in particular for their historical perspective, surgical and chemical models of obesity. However, there are far too many models to consider all of them comprehensively, especially those caused by selective molecular genetic approaches modifying one or more genes in specific populations of cells. Further, the generation and use of inducible transgenic animals (induced knock-out or knock-in) is not covered, even though they often carry significant advantages compared to traditional transgenic animals, e.g., influences of the genetic modification during the development of the animals can be minimized. The number of these animal models is simply too large to be covered in this unit.
Data from WIF1, a Wnt pathway inhibitor, regulates SKP2 and c-myc expression leading to G<sub>1</sub> arrest and growth inhibition of human invasive urinary bladder cancer cells (2023)

&lt;div&gt;Abstract&lt;p&gt;Epigenetic silencing of secreted wingless-type (Wnt) antagonists through hypermethylation is associated with tobacco smoking and with invasive bladder cancer. The secreted Wnt inhibitory factor-1 (WIF1) has shown consistent growth-inhibitory effect on various cancer cell lines. Therefore, we assessed the mechanisms of action of WIF1 by either restoring WIF1 expression in invasive bladder cancer cell lines (T24 and TSU-PR1) or using a recombinant protein containing functional WIF1 domain. Both ectopic expression of WIF1 and treatment with WIF1 domain protein resulted in cell growth inhibition via G&lt;sub&gt;1&lt;/sub&gt; arrest. The G&lt;sub&gt;1&lt;/sub&gt; arrest induced by WIF1 is associated with down-regulation of SKP2 and c-myc and up-regulation of p21/WAF1 and p27/Kip1. Conversely, reexpression of SKP2 in WIF1-overexpressing TSU-PR1 cells attenuated the WIF1-induced G&lt;sub&gt;1&lt;/sub&gt; arrest. Furthermore, inhibition of nuclear Wnt signaling by either dominant-negative LEF1 or short hairpin RNA of TCF4 also reduced SKP2 expression. The human &lt;i&gt;SKP2&lt;/i&gt; gene contains two TCF/LEF1 consensus binding sites within the promoter. Chromatin immunoprecipitation/real-time PCR analysis revealed that both WIF1 and dominant-negative LEF1 expression decreased the &lt;i&gt;in vivo&lt;/i&gt; binding of TCF4 and β-catenin to the &lt;i&gt;SKP2&lt;/i&gt; promoter. Together, our results suggest that mechanisms of WIF1-induced G&lt;sub&gt;1&lt;/sub&gt; arrest include (&lt;i&gt;a&lt;/i&gt;) SKP2 down-regulation leading to p27/Kip1 accumulation and (&lt;i&gt;b&lt;/i&gt;) c-myc down-regulation releasing p21/WAF1 transcription. Additionally, we show that WIF1 inhibits &lt;i&gt;in vivo&lt;/i&gt; bladder tumor growth in nude mice. These observations suggest a mechanism for transformation of bladder epithelium on loss of WIF1 function and provide new targets such as SKP2 for intervention in WIF1-deficient bladder cancer. [Mol Cancer Ther 2009;8(2):458–68]&lt;/p&gt;&lt;/div&gt;
A Two-Dimensional Optical True Time-Delay Beamformer Consisting of a Fiber Bragg Grating Prism and Switch-Based Fiber-Optic Delay Lines (2009)

A two-dimensional optical true time-delay (TTD) beamforming system for a planar phased array antenna (PAA) is proposed and demonstrated. The optical beamforming system consists of a fiber-Bragg-grating-prism-based wavelength-dependent TTD (WD-TTD) unit for azimuth beam steering and a microelectromechanical-system-switch-based wavelength-independent TTD (WI-TTD) unit for elevation beam steering. The time delays generated by the WD-TTD and WI-TTD are measured. The results show that the proposed system can achieve the required time delays with the time-delay errors for the WD-TTD and the WI-TTD at 1 GHz less than 11.8 and 3.6 ps, which correspond to radiation direction errors of less than 1.5deg and 0.4deg for a planar PAA with the adjacent array elements spaced by a half radio-frequency wavelength.
Induction of CHOP Expression by Amino Acid Limitation Requires Both ATF4 Expression and ATF2 Phosphorylation (2004)

The CHOP gene is transcriptionally induced by amino acid starvation. We have previously identified a genomic cis-acting element (amino acid response element (AARE)) involved in the transcriptional activation of the human CHOP gene by leucine starvation and shown that it binds the activating transcription factor 2 (ATF2). The present study was designed to identify other transcription factors capable of binding to the CHOP AARE and to establish their role with regard to induction of the gene by amino acid deprivation. Electrophoretic mobility shift assay and transient transfection experiments show that several transcription factors that belong to the C/EBP or ATF families bind the AARE sequence and activate transcription. Among all these transcription factors, only ATF4 and ATF2 are involved in the amino acid control of CHOP expression. We show that inhibition of ATF2 or ATF4 expression impairs the transcriptional activation of CHOP by amino acid starvation. The transacting capacity of ATF4 depends on its expression level and that of ATF2 on its phosphorylation state. In response to leucine starvation, ATF4 expression and ATF2 phosphorylation are increased. However, induction of ATF4 expression by the endoplasmic reticulum stress pathway does not fully activate the AARE-dependent transcription. Taken together our results demonstrate that at least two pathways, one leading to ATF4 induction and one leading to ATF2 phosphorylation, are necessary to induce CHOP expression by amino acid starvation. This work was extended to the regulation of other amino acid regulated genes and suggests that ATF4 and ATF2 are key components of the amino acid control of gene expression.
400 mW narrow-linewidth Tm-doped silica fiber laser output near 1750nm with volume Bragg grating (2015)

A type of Tm-doped silica fiber laser with narrow-linewidth and output wavelength near 1750 nm was firstly presented, by using a 1550 nm Er-doped fiber laser pump source and a volume Bragg grating (VBG). By means of a 15 cm Tm-doped fiber, a 400 mW continuous wave (cw) at ~1750 nm with FWHW of ~54 pm was generated, corresponding to an average slope efficiency up to 23.5% with respect to absorbed pump power. The influence of gain fiber length on the spectrum wavelength has been investigated in detail. All experimental results demonstrate that this fiber laser will be an effective and promising pump source for mid-IR laser output.
ChemInform Abstract: Ionic Diamine Rhodium Complex Catalyzed Hydroaminomethylation of 2‐Allylanilines. (2010)

Abstract The product distribution depends on the partial pressure of CO and H 2 and on the nature of the solvent.
A continuum approach for multipactor using Vlasov–Poisson analysis (2021)

Abstract Multipactor is studied based on the coupled Vlasov–Poisson equation set and applied to a parallel plate geometry. This approach can be considered complementary to the particle-in-cell (PIC) methods that have provided excellent insight into multipactor behavior. However, PIC methods have limitations in terms of ‘particle noise,’ which can affect electron energy distribution functions and create re-scaling issues under conditions of charge growth. Utilizing our continuum Vlasov–Poisson approach yields susceptibility curves that are in line with reports in the literature, Spark3D PIC simulations, and experimental data. Playing to the strength of the Vlasov–Poisson approach, the differences between various multipactor orders are elucidated as they are observed in phase-space, revealing electron density dynamics without requiring increased computational resources due to electron growth. The method presented is general and can be extended to multi-input excitations and higher-dimensional phase-space.
Near-Surface Dispersion of Carbon Dioxide Seepage from Geologic Storage Sites: Interplay of Process and Detection Strategy (2006)

Author(s): Oldenburg, C.M.; Cortis, A. | Abstract: Injection of CO2 into deep geological formations entails the possibility of CO2 leakage from the storage formation through wellbores, faults, and fractures. CO2 leakage may ultimately reach the near-surface environment by buoyancy and pressure driving forces where it will either flow rapidly into the atmosphere as from an open well, or be emitted over a wide area as seepage. We are investigating the processes, detection, and environmental impacts of CO2 migration in the near-surface environment. Prior simulation work has revealed fundamental behaviors for the case of small CO2 flux including (1) the tendency to fill up the vadose zone with CO2 at concentrations approaching 100%, and (2) rapid mixing of CO2 seepage as it enters the atmosphere from flat and horizontal ground surfaces provided there is wind. The effects of high CO2 flux, weak wind, topographic depressions, and back-filled trenches are being investigated. We are using a variety of approaches from scale analysis to numerical simulation to analyze near-surface migration and dispersion of dense CO2 by wind and gravity-driven flow. Test problems with a range of CO2 seepage fluxes, topography, and wind conditions on length scales of order 100 meters are being considered. Topographic depressions and back-filled trenches are capable of diminishing mixing insofar as they can be sinks for CO2 seepage and isolated from the dispersive effects of wind. As such, these features may be good places for instrumentation to detect CO2 seepage. In addition to investigating the interplay between dispersion and detection, our work contributes to the prediction of environmental impacts in the near-surface environment.