gebhart/patrepeval huggingface dataset:
Zur Aminolyse von Bis-Imidoylchloriden der Oxals�ure. I. Umsetzung mit aromatischen und aliphatischen Aminen (1995)

On the Aminolysis of Bis-Imidoylchlorides of Oxalic Acid. Part I. Reaction with Aromatic and Aliphatic Amines The reaction between bis-imidoylchlorides 2 derived from oxalic acid and several aromatic and aliphatic amines was investigated. While primary aromatic amines need a thermical activation by refluxing, primary aliphatic amines give mainly at room temperature the amidines 3 in moderatly up to good yields. Proceeding from enantiomeric pure amines e.g. (R)- or (S)-1-phenethylamine the new homochiral oxalic amidines 3y and 3z with C2-symmetry were obtained. Several secondary amines react with the bis-imidoylchloride 2a to give via intramolecular cycloacylation derivatives of isatine. The new synthesized amidines 3 perform systems with a strong molecular dynamic like prototropie and E/Z-interconversion. All new compounds described were characterized by elemental analysis and spectroscopic methods.
Topological Quantum Computing (2017)

This set of lecture notes forms the basis of a series of lectures delivered at the 48th IFF Spring School 2017 on Topological Matter: Topological Insulators, Skyrmions and Majoranas at Forschungszentrum Juelich, Germany. The first part of the lecture notes covers the basics of abelian and non-abelian anyons and their realization in the Kitaev's honeycomb model. The second part discusses how to perform universal quantum computation using Majorana fermions.
Synthesis of Pure Enantiomers of Titanium(IV) Complexes with Chiral Diaminobis(phenolato) Ligands and Their Biological Reactivity (2018)

Racemic and enantiomerically pure titanium(IV) complexes with ortho-brominated or para-nitrated chiral diaminobis(phenolato) ligands were prepared with NH and NMe cyclohexyldiamino bridges through ligand to metal chiral induction. The hydrolytic behavior of the complexes was evaluated, identifying the N-methylated complex as the most stable. A representative NH complex hydrolyzed to first give a dimeric structure in solution as deduced by NMR diffusion measurements, followed by formation of clusters with higher nuclearity, as was supported by X-ray characterization of a tetranuclear cluster obtained in trace amounts following 30 days in water solutions. The cytotoxicity of the enantiomerically pure and racemic complexes was measured on HT-29 human colon cancer cell line based on the MTT assay; all stereochemical configurations of the N-methylated complex were inactive, whereas for the NH complexes, the racemic mixtures were mostly inactive but the pure enantiomers exhibited similarly high cytotoxicity, supporting a polynuclear active species. Analysis of the two enantiomers of the most active brominated complex for their cytotoxicity on human ovarian A2780, cisplatin resistant A2780cp and multi-drug-resistant A2780adr cell lines as well as for their apoptosis induction on the A2780 line revealed similar reactivity, supporting a similar mechanism for the two enantiomers.
Condensed Graphitic Carbon Nitride Nanorods by Nanoconfinement: Promotion of Crystallinity on Photocatalytic Conversion (2011)

Photoactive, condensed carbon nitride nanorods (CNRs) can be obtained via confined thermal condensation of cyanamide inside the nanochannels of an anodic alumni oxide (AAO) membrane template. The promotion of a more condensed network of CNRs with lowered HOMO in water splitting (including both H2 and O2 revolution) and photocurrent output was demonstrated.
Accelerating large-eddy simulations of clouds with Tensor Processing Units (2023)

Clouds, especially low clouds, are crucial for regulating Earth's energy balance and mediating the response of the climate system to changes in greenhouse gas concentrations. Despite their importance for climate, they remain relatively poorly understood and are inaccurately represented in climate models. A principal reason is that the high computational expense of simulating them with large-eddy simulations (LES) has inhibited broad and systematic numerical experimentation and the generation of large datasets for training parametrization schemes for climate models. Here we demonstrate LES of low clouds on Tensor Processing Units (TPUs), application-specific integrated circuits that were originally developed for machine learning applications. We show that TPUs in conjunction with tailored software implementations can be used to simulate computationally challenging stratocumulus clouds in conditions observed during the Dynamics and Chemistry of Marine Stratocumulus (DYCOMS) field study. The TPU-based LES code successfully reproduces clouds during DYCOMS and opens up the large computational resources available on TPUs to cloud simulations. The code enables unprecedented weak and strong scaling of LES, making it possible, for example, to simulate stratocumulus with $10\times$ speedup over real-time evolution in domains with a $34.7~\mathrm{km} \times 53.8~\mathrm{km}$ horizontal cross section. The results open up new avenues for computational experiments and for substantially enlarging the sample of LES available to train parameterizations of low clouds.
Voiceprint analysis for Parkinson's disease using MFCC, GMM, and instance based learning and multilayer perceptron (2017)

Parkinson's disease is a neurodegenerative disease. The key aspects of Parkinson's disease include disorders in voice production, phonation, nasality and sometimes leading to problems in respiration and the patterns of stress and intonation in a language. To efficiently detect the disorders the clinicians have given much importance to the acoustics of the analysis methods and from this frame of reference, voiceprint analysis has secured a unique platform among other detection methods. Different approaches are prevalent for the voiceprint analysis of Parkinson's disease but in this paper we would specifically concentrate on Mel Frequency Cepstral Coefficient (MFCC), Gaussian mixture model (GMM) and Instance based learning and their application in the field of Voiceprint Analysis. There are several other voiceprint analysis methods prevalent but this paper would specifically deal with the aforementioned methods as they are efficient and at the same time widely prevalent.
Activation of O2 and CO2 by PtO+:  The Thermochemistry of PtO2+ (2003)

Reactions of PtO+ with O2 and CO2 and the collision-induced dissociation of PtO+ with Xe and of PtO2+ with Xe and Ar have been studied as a function of kinetic energy using guided ion beam tandem mass spectrometry in order to elucidate the thermochemistry of PtO2+. The kinetic energy dependences for these reactions show endothermic behavior except for Pt+·O2 + Xe → PtXe+ + O2. Analyses of the endothermic reaction cross sections yield the 0 K bond dissociation energies (BDEs) in eV (kJ/mol) of D0(OPt+−O) = 3.06 ± 0.07 (295 ± 7), D0(Pt+−O2) = 0.67 ± 0.05 (65 ± 5), D0(OPt+−CO) = 2.21 ± 0.10 (213 ± 10), D0(OCPt+−O) = 3.21 ± 0.12 (310 ± 12), and D0(Pt+−Ar) = 0.34 ± 0.09 (29 ± 9), reasonably consistent with available theoretical values. Combining the OPt+−O BDE measured here with literature data also yields the ionization energy of OPtO as 10.56 ± 0.48 eV. These data, along with complementary ab initio calculations, enable the potential energy surfaces for the activation of O2 by Pt+ to be mapped out in some detail. Evidence is presented that PtO2+ has stable structures of both O−Pt+−O and Pt+·O2.
Thyroid Hormone in the Clinic and Breast Cancer (2018)

There is preclinical and recent epidemiological evidence that thyroid hormone supports breast cancer. These observations raise the issue of whether management of breast cancer in certain settings should include consideration of reducing the possible contribution of thyroid hormone to the advancement of the disease. In a preliminary experience, elimination of the clinical action of endogenous L-thyroxine (T4) in patients with advanced solid tumors, including breast cancer, has favorably affected the course of the cancer, particularly when coupled with administration of exogenous 3,5,3′-triiodo-L-thyronine (T3) (euthyroid hypothyroxinemia). We discuss in the current brief review the possible clinical settings in which to consider whether endogenous thyroid hormone—or exogenous thyroid hormone in the patient with hypothyroidism and coincident breast cancer—is significantly contributing to breast cancer outcome.
Selection of scales in pattern-forming dynamics (2000)

In the strongly nonlinear regime many pattern-forming systems, such as premixed flames, film flows, and three-dimensional hydrodynamical flows, exhibit a remarkable nonlinear phenomenon: the resulting patterns are substantially longer than the wavelength of the linearly most unstable mode. Usually such an inverse cascade, or coarsening is attributed to high-order nonlinear effects. We show, however, that the coarsening may be well described by a proposed weakly nonlinear evolution equation. The key of the model is the dispersion relation, which, being the kernel of Fourier convolution operator, captures the essential properties of strong instabilities in nonlinear systems.
32,2: The development of the new low resistive material bus‐line process with super high aperture ratio for high resolution TFT‐LCDs (1999)

Abstract The TFT‐alley process for high resolution and large screen size TFT‐LCD such as 20UXGA (1600×1200) is developed without the need for extra processing steps. A demonstrated novel process uses Pure‐Al metal as gate and source electrode with low dielectric interlayer, which can result in achieving high performance a‐Si TFT with high yield. 18.1SXGA(1280×1024) panel was already introduced in the mass production and achieved high cost performance with high aperture ratio.
ChemInform Abstract: OXIDATION OF 4‐METHYLENETETRAHYDROPYRAN ‐ THE SHORTEST ROUTE TO SYNTHETIC CITRIC ACID (1985)

Abstract Durch Oxidation der Titelverbindung (I), eines Nebenproduktes der Darstellung von Isopren, mit N 2 O 4 wird direkt und mit höheren Ausb. als bei früheren Verfahren Citronensäure (II) erhalten.
Finite element analysis for the safety evaluation of a dam on a fractured rock foundation (2019)

A three-dimensional finite element analysis of and arch dam has been performed to assist in the evaluation of the safety of the dam/foundation ensemble. Stability is controlled by the presence of discontinuities belonging to well defined sets which have been modelled by zero-thickness joint elements. The analysis has been carried out in several stages simulating the initial stress stage, dam construction and hydrostatic loading. The evaluation of dam safety is based on the calculation of the factor of safety for various failure mechanisms using the stress distribution computed in the finite element analysis. From the examination of a large number of potential sliding surfaces, the most critical failure mechanisms have been identified.
Analysis and design of average current mode control using describing function-based equivalent circuit model (2012)

A small signal model for average current mode control based on equivalent circuit is proposed. The model uses the three-terminal equivalent circuit model based on linearized describing function method to include the feedback effect of the side-band frequency components of inductor current. It extends the results obtained in peak-current model control to average current mode control. The proposed small signal model is accurate up to half switching frequency, predicting the sub-harmonic instability. The proposed model is verified using SIMPLIS simulation and hardware experiments, showing good agreement with the measurement results. Based on the proposed model, a new feedback design guideline is presented. The proposed design guideline is compared with several conventional, widely used design criteria to highlight its virtue. By designing the external ramp following the proposed design guideline, quality factor of the double poles at half of switching frequency in control-to-output transfer function can be precisely controlled. This helps the feedback design to achieve widest control bandwidth and proper damping.
A bird's-eye view of Li-stuffed garnet-type Li7La3Zr2O12 ceramic electrolytes for advanced all-solid-state Li batteries (2019)

Analysed current trends in development of garnet-type structured Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub>-based oxides as solid electrolytes for next-generation all-solid-state lithium batteries.
Dynamic Inflammatory Gene Expression Profiles Among Patients With and Without Acute Cellular Rejection (ACR) During the First Post-Transplant Year. (2014)

Early acute cellular rejection (ACR) often occurs within 90 days of liver transplantation. Diagnosis of ACR requires a liver biopsy with associated risk and expenses. We hypothesized that the longitudinal inflammatory gene expression profiles in blood may serve as proxy of the graft status and have utility as a non-invasive diagnostic measure of ACR. Methods: A prospective observational cohort study involving 87 recipients was performed in the CTOT03 Study (NIAID Clinical Trials in Organ Transplantation), collecting blood samples at defined intervals post transplant: within 2 hours of reperfusion, at 1 and 6 weeks, 3, 6, and 12 months. Expression of 102 genes involving in inflammatory and immune responses was profiled in all samples. Samples and genes meeting quality control measures (82 genes in 443 samples) were subjected to: 1) mixed models to examine their association with ACR and interactions with time since transplant; 2) general linear models to test their associations with ACR using a nested case-control study design; and 3) qualitatively profile their changes during the 1st year post-transplant. Results: Widely ranging dynamic changes were observed in inflammatory genes surveyed during the first year. During the study period, 9 patients developed biopsy proven ACR. Mixed model analyses revealed nominally significant associations of inflammatory gene expression with ACR status, time since transplant, and interactions of ACR and time since transplant. In a nested case-control study that included 7 samples collected at ACR diagnosis and 21 non-ACR samples frequency-matched to ACR samples on early allograft dysfunction, age, and time since transplant, TNF, CD40LG, FOSB, and MSRA were found to be nominally significant. Prediction analyses identified a multi-marker model consisting of CAT, CTSB, and GPX4 that may potentially serve as a predictive signature for ACR. Conclusion: Dynamic changes in inflammatory gene profiles during the first year may be the reflection of changes in immunosuppressant dosage, as well as a process during which the grafts were adopted by the recipients. With the precaution of small sample size, our results suggest that multi-marker signature has the potential for the diagnosis/prediction of ACR.
Characterization of acetylcholinesterases, and their genes, from the hemipteran species Myzus persicae (Sulzer), Aphis gossypii (Glover), Bemisia tabaci (Gennadius) and Trialeurodes vaporariorum (Westwood) (2003)

Gene sequences encoding putative acetylcholinesterases have been reported for four hemipteran insect species. Although acetylcholinesterase insensitivity occurs in insecticide-resistant populations of each of these species, no mutations were detected in the gene sequences from the resistant insects. This, coupled with a series of experiments using novel reversible inhibitors to compare the biochemical characteristics of acetylcholinesterase from a range of insect species, showed that the cloned cDNA fragments are unlikely to encode the hemipteran synaptic acetylcholinesterases, and there is likely to be a second ace locus.
Identification of Sparse Linear Operators (2013)

We consider the problem of identifying a linear deterministic operator from its response to a given probing signal. For a large class of linear operators, we show that stable identifiability is possible if the total support area of the operator's spreading function satisfies <formula formulatype="inline" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"><tex Notation="TeX">$ \Delta \leq 1/ 2$</tex></formula> . This result holds for an arbitrary (possibly fragmented) support region of the spreading function, does not impose limitations on the total extent of the support region, and, most importantly, does not require the support region to be known prior to identification. Furthermore, we prove that stable identifiability of almost all operators is possible if <formula formulatype="inline" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"><tex Notation="TeX">$ \Delta &lt; 1$</tex></formula> . This result is surprising as it says that there is no penalty for not knowing the support region of the spreading function prior to identification. Algorithms that provably recover all operators with <formula formulatype="inline" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"><tex Notation="TeX">$ \Delta \leq 1/ 2$</tex></formula> , and almost all operators with <formula formulatype="inline" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex Notation="TeX">$ \Delta &lt; 1$</tex></formula> are presented.
Space+a (2008)

Space+a is a megaphone that produce interactive cheering method in ubiquitous computing world. This megaphone can show the digital photos that you've taken to the wall, and you can also make an effect to the screen by banging or swinging your megaphone in the performance area. Audiences are able to create the whole space by cheering with this megaphone. The purpose of space+a is to let the audience to be more active, and helps to increase the performer's potential.
Editorial Commentary: No 2 Hips Are the Same—Femoroacetabular Impingement May Be More Proximal in Patients With Developmental Dysplasia (2017)

Every hip is unique. The area of cam impingement is more proximal in patients with borderline developmental dysplasia of the hip. It is important to recognize this to ensure successful treatment.
Tumor lymphangiogenesis and melanoma metastasis (2008)

Malignant melanomas of the skin primarily metastasize to lymph nodes, and the detection of sentinel lymph node metastases serves as an important prognostic parameter. There is now compelling evidence that melanomas can induce lymphangiogenesis (growth of lymphatic vessels), mainly at the tumor-stroma interface, and that the level of tumor lymphangiogenesis is correlated with the incidence of sentinel lymph node metastases and with disease-free survival. Thus, tumor lymphangiogenesis can serve as a novel prognostic predictor in melanoma. Vascular endothelial growth factor (VEGF)-C, released by melanoma cells and by tumor-associated macrophages, likely represents the major lymphangiogenic factor in melanoma, although other members of the VEGF family might also be involved. The recent discovery that tumors can induce a premetastatic niche, by inducing lymphatic vessel growth in sentinel lymph nodes even before metastasis, and that lymph node lymphangiogenesis enhances metastatic spread, indicates that activated lymphatic vessels represent novel targets for the detection and/or therapy of melanoma metastases.
Dual-wavelength actively mode-locked Er-doped fibrering laser with fibre gratings (1997)

A simple and novel configuration for dual wavelength operation of actively mode-locked Er-doped fibre lasers with fibre gratings is proposed. Simultaneously mode-locked operation with two wavelengths at bit-rates up to 50 MHz is experimentally demonstrated.
Consecutive gold[I]-catalysed cyclisation reactions leading to polyfused heterocycles of agrochemical relevance (2011)

Variolin B, a marine natural product isolated from the Antarctic sponge Kirkpatrickia variolosa, possesses a rare heterocyclic framework and is a potent CDK inhibitor. Such properties have prompted the industry partner associated with this project, namely the German chemical commodities company BASF, to select this compound as a lead for the development of new agrochemicals. This thesis details the development of new synthetic methods specifically designed to produce complex heterocyclic frameworks related to variolin B. The synthetic plan, which involved consecutive electrophile-promoted nucleophilic ring-closure reactions of 1-[2-(buta-1,3-diynyl)pyridyl]ureas potentially leading to pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-9(8H)-ones, is outlined in Chapter One. The first part of Chapter Two describes the synthesis of alkynylphenylureas as model cascade cyclisation precursors and the second part details the outcomes of reactions of these model compounds with various sources of iodine. The reactions delivered mono-cyclised compounds in some cases although intermolecular side-reactions prevented cascading cyclisation reactions from occurring. Details of the successful development of consecutive gold-catalysed nucleophilic ring-closure reaction of 2-(buta-1,3-diynyl)phenylureas that deliver pyrimido[1,6-a]indol-1(2H)-ones are provided in Chapter Three. The effect that substituents have on the outcome of these gold-promoted reactions were also assessed and it was found that N,N'-disubstituted cyclisation precursors give 1-methylene-1H-imidazo[1,5-a]indol-3(2H)-ones as the major products. Chapter Four outlines the preparation of pyridine-based cyclisation precursors and attempts to synthesise variolin B by applying the gold-catalysed cyclisation methodology to them. These reactions led to mono-cyclised products in some cases but side reactions were also observed. Many of the heterocycles produced during the course of this work are unprecedented and, accordingly, they are being tested for their agrochemical properties by BASF Crop-Protection Division. This aspect of the work is discussed in Appendix 1.
Radiotherapy and "new" drugs-new side effects? (2011)

The addition of molecular targeted drugs to conventional radiotherapy outside of approved regimens or clinical trials warrants a careful consideration especially when used in conjunction in hypo-fractionated regimens. Clinical trials are urgently needed in order to address the open question in regard to efficacy, early and late toxicity.
Dual and hybrid PTP modules (2011)

The IEEE 1588-2008 standard [1] introduces and specifies Boundary Clock (BC) and Transparent Clock (TC) concepts in order to address stringent time distribution requirements (e.g. 1 μs accuracy for the end application) across a communication network. Both concepts present different strengths and weaknesses which are generally used as arguments to oppose one against the other. This paper, on the contrary, is advocating for the implementation of both functionalities on the same network node with regards to the great commonalities and complementarities between them. Going further on this complementary approach, this contribution proposes a hybrid module aiming at combining different advantages offered respectively by BC and TC concepts.