gebhart/patrepeval huggingface dataset:
Hardness conservation as a new transferability criterion: Application to fully nonlocal pseudopotentials (1997)

The concept of chemical hardness has been recently adopted in the framework of Kohn-Sham theory as a faithful ab initio measure of pseudopotential transferability. A fully self-consistent hardness theory was developed and employed to evaluate the transferability of semilocal pseudopotentials. Hardness contains most of the relevant physical information determining the transferability of pseudopotentials and is an important step forward with respect to the logarithmic derivative analysis. We discuss the main features of chemical hardness and the relations between chemical hardness and the original definitions of absolute and local hardness. We then apply the new criterion to investigate the transferability of fully nonlocal Kleinman-Bylander pseudopotentials. Hardness conservation allows us to obtain a meaningful comparison between them and the conventional norm-conserving ones and gives us a criterion to improve the pseudopotential transferability of fully nonlocal pseudopotentials by suitably resetting their local part. © 1997 John Wiley & Sons, Inc.
Effect of ionic size compensation by Ag+ incorporation in homogeneous Fe-substituted ZnO: studies on structural, mechanical, optical, and magnetic properties (2018)

Substituting an ion of different size from that of the host element introduces lattice strain and defects. However, this mismatch may be significantly reduced by substituting an additional ion with a compensating size relative to the dopant. Such a double substitution might offer better solubility irrespective of the local distortions as well as the formation of defects in the valence states. Fe-substituted ZnO has been widely reported with conflicting results primarily arising from lack of chemical and structural homogeneity originating from preparation techniques, compositional fluctuations, and equivocal comprehension of actual solubility limits of the dopants. In this study, Ag ion has been incorporated in Fe-substituted ZnO to compensate the ionic size of Zn<sub>1-<i>x</i></sub> [Fe<sub>0.8</sub>Ag<sub>0.2</sub>] <sub><i>x</i></sub> O (0 ≤ <i>x</i> ≤ 0.03125) by determining the solubility limit of the homogeneous material and their corresponding structural, mechanical, optical and magnetic properties have been investigated thoroughly. Co-substitution rearranges the lattice and leads to better crystal structures with tunable properties related to the amount of substitution.
Citoszkeletális izomfehérjék molekuláris mechanikája nanobiotechnológiai módszerekkel = Molecular mechanics of cytoskeletal muscle proteins using nanobiotechnological methods (2006)

Pályázatunkban elsősorban a titin óriás izomfehérje, annak rekombináns fragmentumai és egyéb izom-citoszkeletális fehérjék nanobiotechnológiai vizsgálatával foglalkoztunk. Egyedi titinmolekulák és rekombináns titin fragmentumok molekuláris mechanikai tulajdonságait és a miozin motorfehérjék in vitro motilitási sajátosságait tanulmányoztuk. Egyedi molekulák mechanikai manipulálására kifejlesztett erőmérő lézercsipesz berendezésünket továbbfejlesztettük, és fluoreszcens technikákkal kombináltuk. Ugyancsak egyedi molekulák mechanikai manipulálására alkalmas atomerőmikroszkópos berendezést helyeztünk üzembe. Atomerőmikroszkópos (AFM) berendezésünket és módszereinket továbbfejlesztettük, mellyel lehetővé vált egyedi fehérjék célzott, in situ mechanikai manipulálása. Az AFM módszert sikerrel kombináltuk teljes belső visszaverődés fluoreszcencia mikroszkópiával (TIRFM), mellyel lehetővé vált sejtek és molekulák egyidejű topográfiai és fluoreszcenciás vizsgálata. Eredeti megfigyeléseket tettünk a titin lokális rugalmasságának és mecahnikai stabilitásának, aktinnal való kölcsönhatásainak és a dezmin intermedier filamentumok nanomechanikai viselkedésének megismerésében. | Our project primarily addressed the nanobiotechnology of the giant muscle protein titin, the recombinant fragments of titin, and other filamentous proteins of the muscle cytoskeleton. We examined the molecular mechanics of individual molecules of titin and its recombinant fragments and the motile characteristics of myosin motor proteins with novel methodologies. Our force-measuring optical tweezers instrument was developed further and was combined with fluorescence imaging. We have installed an atomic force microscope system capable of mechanical manipulation of single biomolecules. We have developed our AFM system and analysis further so that it enables us to carry out in situ force spectroscopic measurements. Our AFM was combined with total internal reflection fluorescence microscopy that enables us to follow the surface topography and mechanics of the sample together with its fluorescence properties, in a spatially and temporally synchronized fashion. We have made and published original observations about the local and global nanomechanical behavior of titin, its interactions with actin filaments, and the elasticity and force-driven transitions of the muscle-specific desmin intermediate filaments.
Bacterial and Viral Coinfections with the Human Respiratory Syncytial Virus (2021)

The human respiratory syncytial virus (hRSV) is one of the leading causes of acute lower respiratory tract infections in children under five years old. Notably, hRSV infections can give way to pneumonia and predispose to other respiratory complications later in life, such as asthma. Even though the social and economic burden associated with hRSV infections is tremendous, there are no approved vaccines to date to prevent the disease caused by this pathogen. Recently, coinfections and superinfections have turned into an active field of study, and interactions between many viral and bacterial pathogens have been studied. hRSV is not an exception since polymicrobial infections involving this virus are common, especially when illness has evolved into pneumonia. Here, we review the epidemiology and recent findings regarding the main polymicrobial infections involving hRSV and several prevalent bacterial and viral respiratory pathogens, such as <i>Staphylococcus aureus</i>, <i>Pseudomonas aeruginosa</i>, <i>Streptococcus pneumoniae</i>, <i>Haemophilus influenzae</i>, <i>Moraxella catarrhalis</i>, <i>Klebsiella pneumoniae</i>, human rhinoviruses, influenza A virus, human metapneumovirus, and human parainfluenza viruses. As reports of most polymicrobial infections involving hRSV lack a molecular basis explaining the interaction between hRSV and these pathogens, we believe this review article can serve as a starting point to interesting and very much needed research in this area.
Trace Reconstruction Problems in Computational Biology (2020)

The problem of reconstructing a string from its error-prone copies, <i>the trace reconstruction problem</i>, was introduced by Vladimir Levenshtein two decades ago. While there has been considerable theoretical work on trace reconstruction, practical solutions have only recently started to emerge in the context of two rapidly developing research areas: immunogenomics and DNA data storage. In immunogenomics, traces correspond to mutated copies of genes, with mutations generated naturally by the adaptive immune system. In DNA data storage, traces correspond to noisy copies of DNA molecules that encode digital data, with errors being artifacts of the data retrieval process. In this paper, we introduce several new trace generation models and open questions relevant to trace reconstruction for immunogenomics and DNA data storage, survey theoretical results on trace reconstruction, and highlight their connections to computational biology. Throughout, we discuss the applicability and shortcomings of known solutions and suggest future research directions.
71.4: Invited Paper : Imaging via Backlights (2011)

Abstract We have used a wedge light guide to capture images in front of an LCD as if from a point deep behind. We have also used it to illuminate an LCD so as to be visible to only one viewer. These two features offer the prospect of a digital window.
ChemInform Abstract: ALPHA‐HALOGENIERTE EPOXIDE, UMLAGERUNG IM VERLAUF DER ISOMERISIERUNG (1975)

Abstract Wird das Epoxid (Ia) in Triäthylamin am Rückfluß erhitzt, so entsteht neben dem Isomerisierungsprodukt (IIa) unter Phenylwanderung und HBr‐Abspaltung auch das Umlagerungsprodukt (III).
BC&amp;amp;GC-Based Dense Stereo By Belief Propagation (2006)

Belief propagation (BP) have emerged as powerful tools in the realm of dense stereo computation. However the underlying brightness constancy (BC) assumption of existing methods severely limit the range of their applications. Augmenting BC with gradient constancy (GC) assumption has lead to a more accurate algorithm for optical flow computation. In this paper, these constraints are utilized in the frameworks of BP to broaden the application of stereo vision for 3D reconstruction. Results from experiments with semi-synthetic and real data illustrate that an algorithm incorporating these models generally yields better estimates, where the BC assumption is violated.
Functionalization of carbon nanotubes via Cu(i)-catalyzed Huisgen [3 + 2] cycloaddition “click chemistry” (2010)

Functionalization of carbon nanotubes is essential for achieving their mechanical, electrical, and biological functions and enhancing their dispersion in a polymer matrix. Cycloaddition reactions can play a significant role as an emerging route in this direction. This minireview focuses on covalent functionalization of carbon nanotubes using a facile approach via a Cu(I)-catalyzed Huisgen [3+2] cycloaddition reaction. Through this reaction, an enormous variety of molecules can be coupled onto carbon nanotubes in a very controlled manner, and may be utilized for many potential applications from nanoelectronics to bio-applications.
Abstract 398: Tocomin Restores Endothelium-Dependent Relaxation in Diabetic Rat Aorta (2014)

Increased superoxide in blood vessels can lead to impaired endothelial function. Tocotrienols, components of vitamin E are effective antioxidants that may have beneficial effects on vascular function particularly in pathologies involving oxidative stress such as diabetes. Tocomin is an extract of palm oil with high tocotrienol content. This study investigated the effect of 4 week treatment with tocomin (composition: tocotrienol rich fraction: 40%, α-tocopherol: 11% and palm olein: 38%) treatment on endothelium-dependent and endothelium-independent relaxation in the diabetic rat aorta. Male Wistar rats were randomly assigned to 4 groups (control, control+tocomin, diabetic and diabetic+tocomin). Diabetes was induced by a single injection of streptozotocin (STZ, 50 mg/kg iv). Rats were treated with tocomin (40 mg/kg per day s.c.) or vehicle (100% peanut oil) for 4 weeks commencing 6 weeks after induction of diabetes. Endothelium-dependent (EDR) to ACh, endothelium-independent relaxation (EIR) to sodium nitroprusside and superoxide production were measured using standard organ bath techniques and lucigenin enhanced chemiluminescence. Diabetes increased blood glucose (control 6.8±0.3 vs diabetic 32.1±1.2 mmol/L, n=7-9) and glycated hemoglobin (HbA1c control 5.6±0.2% vs diabetic 13.3±0.3%, n=7-9). Neither parameter was affected by tocomin treatment (blood glucose control+tocomin 7.3±0.7 mmol/L, diabetic+tocomin 26.3±4 mmol/L, HbA1c control+tocomin 5.5±0.2%, diabetic+tocomin 11.8±1.3%, n=8-10). Diabetes impaired EDR (ACh Rmax control 93±4% vs diabetic 76±4%, n=6-8, p&lt;0.05) without affecting EIR. Tocomin treatment significantly improved EDR (ACh Rmax diabetic 76±4% vs diabetic+tocomin 89±3%, n=6-8, p&lt;0.05) in diabetic rat aortae. Diabetes also significantly increased superoxide production (control 573±75 vs diabetic 1113±90 counts/mg dry tissue, n=4-9, p&lt;0.05), which was alleviated by tocomin treatment (761±71 counts/mg dry tissue, n=4-9, p&lt;0.05, in comparison to diabetic). These findings demonstrate that 4 week treatment of diabetic rats with tocotrienol rich tocomin significantly reduces superoxide production and improves EDR without affecting blood glucose levels.
An Aluminum/Chlorine Rechargeable Cell Employing a Room Temperature Molten Salt Electrolyte (1988)

A novel rechargeable electrochemical cell is described which employs an Al negative and graphite positive electrode in a room temperature molten salt electrolyte of 1.5:1 . The graphite positive electrode functions as a reversible intercalation electrode for chlorine, eliminating the need for separate anolyte and catholyte compartments. The cell possesses an average discharge voltage of 1.7V for currents of 1–10 mA/g graphite and over 150 cycles at 100% depth‐of‐discharge for positive electrode limited cells have been demonstrated. Improvements in the chlorine storage capacity of the positive electrode are needed to obtain satisfactory energy densities.
Reduction in Fatalities, Ambulance Calls, and Hospital Admissions for Road Trauma After Implementation of New Traffic Laws (2014)

These findings suggest that laws calling for immediate sanctions for dangerous drivers can reduce road trauma and should be supported.
ChemInform Abstract: NEW 3‐INDOLEACETIC DERIVATIVES SHOWING A POTENT ANTIINFLAMMATORY ACTIVITY AND SAFETY FOR GASTRIC MUCOSA (1980)

Abstract New 3‐Indolacetic Derivatives Showing a Potent Anti‐inflammatory Activity and Safety for Gastric Mucosa.
Features of 18F-fluorodeoxyglucose uptake in multiple myeloma (2021)

Background. Multiple myeloma (MM) is a kind of malignancy from malignant plasma cells with high intra- and interpatient variability, because of complex clonal evolution of tumor cells. Positron emission tomography combined with computed tomography with 18F-fluorodeoxyglucose (18F-FDG-PET/CT) plays a major role in MM visualization, but there are evidences of non-FDG-avid cases of MM. Taking into account the increasing role of 18F-FDG-PET/CT in MM, special criteria for risk-group stratification was elaborated. These criteria are based on comparison of radiotracer uptake in tumor tissue, mediastinal blood pool and liver.Objective: the study of 18F-FDG uptake in MM and solitary plasmacytoma before antitumor treatment to assess the applicability of criteria based on the ratio of activity in tumor tissue and liver.Materials and methods. We reviewed 65 18F-FDG-PET/CT scans of patients with MM and solitary plasmacytoma before treatment.Results. In our cohort we identified 2 tumor cases of a plasma cell nature, which amounted to 2 % among all B-NHLs. In one case, the process was located in the nasal cavity and clinically manifested itself with nosebleeds. The second case is a lesion of the mouth floor, primarily with the ulcer formation. In the first cases, at diagnosis, the immunohistochemistry (IHC) test was performed after patient’s chemotherapy and radiation treatment, which distorted the tumor immunophenotype. In the second cases with extensive process in maxillary sinuses, a complete and very detailed IHC test was carried out; however the data did not allow for a definitive diagnosis. Difficulties apparently arose in the interpretation of CD38 expression – main marker of plasmacytic line cells, as well as due to the unusual morphology.Conclusion. Therefore, 5-point scale is eligible for MM tumor assessment in 52 % of patients and feasible in 32 % of patients, but in 16 % patients alternative criteria are required.
Bottle cap scratches detection with computer vision techniques (2013)

This paper presents a novel method that can detect arbitrary shaped scratches on bottle caps based on a template edge image comparison method. In this method, edge-preserving smoothing based on a guided filter technique is first applied and edge information is extracted. Then modified Hough transform is combined with a hierarchical orientation searching method to locate the position and orientation of the candidate bottle cap in the test image. Finally, rotation compensated edge image is compared with the template edge image in order to determine whether there exist scratches or not in the test image. Experimental results showed that the False Rejection Rate and the False Acceptance Rate are both below 1.5%, which proved the effectiveness of our proposed algorithm.
Principles of contrast enhancement in the evaluation of brain diseases: An overview (1997)

Intravenous contrast media are widely used in MR imaging of the brain. Clinical utility is high in both neoplastic and non-neoplastic disease. The agents approved to date are all gadolinium chelates, with extracellular distribution and renal excretion. The agents differ in regard to the maximum dose that can be administered and the theoretical safety margin. When administered at the same dose, the efficacy of the different available agents is comparable. Described in the following review article are the diagnostic use of contrast media and the patterns of enhancement encountered in neoplastic disease, infection, vascular disorders, and diseases of white matter. Only in congenital brain disease, when acute abnormalities are not suspected clinically and neoplastic disease is not a question, is contrast enhancement not indicated. The gadolinium chelates play a major role in the evaluation of patients by MR with known or suspected brain disease. These agents improve both the sensitivity and specificity of the examination. In many cases, lesions cannot be identified before contrast administration. Lesion delineation, assessment of lesion activity, and differential diagnosis are all improved, in general, with the addition of postcontrast scans. The scope of applications continues to expand as the modality and clinical experience matures.
Intelligente Schweißroboter (2022)

Abstract Um eine hohe Prozesssicherheit innerhalb automatisierter MSGSchweißprozesse zu erreichen, ist der Einsatz zusätzlicher Sensorik oftmals unumgänglich. Im Rahmen dieses Beitrags werden die Gründe dafür näher beschrieben und auch herausgestellt, warum ein Roboter bei komplexeren Anwendungen oftmals das Nachsehen hat. Es wird zudem ein Ansatz vorgestellt, der den Einsatz künstlicher Intelligenz zur Erfassung und Antizipation des Prozesszustands vorsieht und in Kombination mit etablierter Sensorik innovative Adaptionsstrategien erlauben könnte.
Professionalisation and the Burra Charter, 1970s (2022)

In the 1970s, the field of Australian conservation was remade with the emergence of the values-based model. Chapter 7 turns to the development of professional institutions and best-practice guidelines: Australia ICOMOS (1976) and the Burra Charter (1979). The latter conservation doctrine reflected the field’s aspiration for uniform national principles for managing nineteenth-century and early-twentieth-century buildings and structures. At this moment of Australian cultural assertiveness, and in response to Eurocentric international heritage bodies, the proposed guidelines became a loftier charter. Its assumptions and its emphasis, nevertheless, paralleled conservation in European and North American contexts. The emerging values-based model to conservation conceptually engaged with a greater diversity of places, while adopting traditional approaches in implementation.
Antibacterial action of chitosan and carboxymethylated chitosan (2000)

A series of chitosan with different molecular weights obtained by γ-irradiation depolymerization and another series of deacetylated chitosan were synthesized. Several N,O-carboxymethylated chitosan and O-carboxymethylated chitosan were also produced. The above samples were characterized by Fourier transform infrared spectroscopy (FTIR). Their antibacterial activities against E. coli were explored by the optical density method. The antibacterial activity of chitosan is influenced by its molecular weight, degree of deacetylation, concentration in solution, and pH of the medium. Antibacterial activities were also found to be increased in the order of N,O-carboxymethylated chitosan, chitosan, and O-carboxymethylated chitosan. Fluorescence of the FITC (fluorescein isothiocyanate)-labeled chitosan oligomers at the inside of the E. coli cell was observed by a confocal laser scanning microscope. The antibacterial activity of chitosan oligomers seems to be caused mainly by the inhibition of the transcription from DNA. © 2000 John Wiley & Sons, Inc. J Appl Polym Sci 79: 1324–1335, 2001
Niederdruck‐Zerstäuben von Flüssigkeiten an Sieben (2003)

Abstract No abstracts.
Selenium Deficiency Triggering Intractable Seizures (1994)

Two children with severe neurodevelopmental retardation and elevated liver function tests developed intractable seizures during the first year of life. Detectable neurometabolic conditions have been ruled out. At the time of seizures evidence for systemic selenium deficiency could be documented. The youngest patient, who manifested intractable fits from the fourth day of life, died at the age of ten months. Neuropathologic examination was consistent with Progressive Neuronal Degeneration of Childhood (PNDC) with liver disease or formerly known as Alpers disease. In the oldest child, whose diet was normally balanced, fits started from the age of 11 months and features of long-standing selenium deficiency became apparent from the age of 1 1/2 years and consisted of liver function disturbances, depigmented hair and osteoarthropathy. Oral substitution with selenium supplements in both children (3-5 micrograms/kg body weight) resulted in reduction of seizures and improvement of the EEG recordings after two weeks while liver function became normal. Two of the seleno-dependent enzymes Glutathione Peroxidase (GPX) and Phospholipid Hydroperoxide Glutathione Peroxidase (PHGPX) are speculated to play a key-role in the defence of neuronal cells against oxygen radical formation and peroxidative processes. Our findings support the hypothesis that the presence of selenium depletion in the brain amongst patients with epilepsy constitutes an important triggering factor for the origin of intractable seizures and subsequent neuronal damage.
The Latest Evidence with Regards to Femtosecond Laser-Assisted Cataract Surgery and Its Use Post 2020 (2021)

Femtosecond laser-assisted cataract surgery (FLACS) was introduced with the hope of making cataract surgery safer and making the refractive result more predictable. It is only in the last four years that level 1 prospective randomised controlled trials (RCT) using current technology have been published. These, along with a meta-analysis of recent studies have shown that there seems to be little long-term visual benefit when using FLACS with monofocal lenses. The promised decrease in ultrasound energy required to remove a cataract has not been consistently demonstrated. There is level one evidence that the rate of posterior capsular rupture is less with FLACS using modern software. The round capsulotomy may be of increasing importance with the uptake of toric, multifocal and extended depth of focus lenses where a predictable capsulotomy size and precise placement of the lens becomes more important.
Comprehensive Health Care Clinic for Hemophiliacs (1976)

One hundred hemophiliacs were examined at a formal comprehensive health care clinic. Sixty-eight percent had abnormal results of liver function tests, and 26% had spleens that were palpable. Measurement of range of motion of knees, ankles, hips, shoulders, and elbows showed a high incidence of hemophilic arthropathy and established a precise baseline by which to judge efficacy of therapy. Results of dental examination disclosed a 14% incidence of multiple severe caries, which is an incidence lower than that of the population as a whole. Examples of inadequate dosage of replacement therapy (16%) and chronic delay in application of self-therapy (14%) were discovered. An 8% incidence of hypertension was noted; prior experience suggests that the combination of hypertension and hemophilia may be lethal. Other clinical and laboratory data also illustrate the importance of a periodic, formally structured, comprehensive examination of hemophiliacs.