gebhart/patrepeval huggingface dataset:
Selection of Appropriate Training Set of Chemicals for Modeling Dermal Permeability Using Uniform Coverage Design (2009)

Abstract In silico approaches to model dermal permeability require a training set of chemicals. Selection of an appropriate set of chemicals is the key factor in the precision of a model. The objective is to develop a training set of chemicals representing a wider chemical space relevant to biological activity such as dermal permeability and compare it with the currently used training set of chemicals by our laboratory, which was based on a subjective selection process. Wider chemical space refers to structurally diverse chemicals with a wide range of all the descriptor values. A parent dataset of 4098 chemicals with 5 solvatochromic descriptors obtained from ADME boxes database was used for this study. The approach for diverse chemical selection was performed using ‘uniform coverage design’ (UCD) run by SpaceFill program and compared with a cluster analysis using SAS. Five sets of 25 chemicals were obtained from the design and evaluated based on gas chromatographic assay amenability and representation of structurally diverse group. A final set of 25 chemicals to be used for modeling dermal permeability was selected, based on aforementioned criteria. Graphical plot of the principal components demonstrated that currently used training set of chemicals have narrow representation of parent dataset whereas the selected training set have appropriate representation in terms of chemical space. QSAR models were built from both training set of chemicals. The model based on the 25 selected chemicals ( R 2 =0.83) performed equally if not slightly better then the model based on currently used training set of 32 chemicals ( R 2 =0.82).
Does a Volar Locking Plate Provide Equivalent Stability as a Dorsal Nonlocking Plate in a Dorsally Comminuted Distal Radius Fracture? (2008)

This study suggests that the fixation obtained with volar locking plates is as stable as fixation with a dorsal plate in acute healing period and can withstand the functional demands of the immediate postoperative period in dorsally comminuted unstable extra-articular distal radius fractures. Elimination of dorsal tendinopathy by using volar locking plates may lead to fewer long-term complications. Locking plates provided better stability in specimens with osteoporosis.
Research on power load forecasting based on combined model of Markov and BP neural networks (2010)

With the development of power systems, the accuracy of electric power load forecasting plays a more important role in the safe operation of power system and raising the level of the national economy. Load forecasting is a very important element of the power system operation scheduling, an important module of the energy management system (EMS), and is the basis to ensure safe and economical operation and achieve grid scientific management and scheduling. Whether Power load forecast is accurate will also affect power system planning, programming and other management departments' works. This paper selected the point load data of some city, used BP neural network training, network simulation and prediction, and through the amendment model of Markov to error-correction and adjust it will further enhance point load forecasting accuracy based on the BP neural network prediction. Through point load forecasting accurately we got more accurate information for planning and operation of power system electricity generation and distribution.
New Developments in Chemical Wet Processes. Electrochemical Deposition of Metal Particles on Si Electrodes for Efficient Photoelectrochemical Solar Cells. (2001)

Fine platinum (Pt) particles were electrodeposited on n-type silicon (n-Si) electrodes from an aqueous hexachloroplatinic acid (IV) solution by single potential step and double potential step (DPS) methods. The distribution density of the Pt particles on the electrode increased from 109 to 1010 cm−2 as the pulse potential at the initial step of the DPS method decreased from −1 to −4 V vs. SCE. The size of the Pt particles became larger with increasing the electricity passing across the electrode surface. Photoelectrochemical solar cells equipped with Pt-electrodeposited n-Si electrodes generated open-circuit photovoltage of 0.6 V and provided an energy conversion efficiency of 10%. Solar cell characteristics changed with the size and distribution density of the Pt particles.
THE VERSATILITY OF DROSOPHILA MELANOGASTER FOR MUTAGENICITY TESTING* (1983)

I trust that I have accomplished my aim in this presentation, to demonstrate that Drosophila mutagenesis testing protocols are varied and are adaptable. The choices are many, at different levels. First, the route of administration can be chosen that is most appropriate for the chemical compound or to duplicate the human exposure route or to obtain data needed for some particular purpose, such as comparative mutagenesis. Second, the genetic test scheme or combination of schemes can be chosen to suit the purpose of the testing (screening, risk evaluation, or comparative mutagenesis). Third, by treating the appropriate fly development stage and managing the mating and brooding procedures, the germ cell stage can be sampled that is the critical one for the mutagenic effect of that compound and the correct one for the end point to be observed. Fourth, in screening, using the SLRL assay, the experiment size can be adjusted in accordance with the test sensitivity desired, the projected use of the data, and time and cost restrictions. In summary, Drosophila melanogaster has long been known as a most versatile organism for genetic studies of all kinds--and we now know that this versatility extends to the evaluation of chemical compounds for mutagenic effects. If it were only a mammal!
Historical development of underground coal gasification (1977)

The development of underground coal gasification is traced through a discussion of the significant, early experiments with in situ gasification. Emphasized are the features of each experiment that were important in helping to alter and refine the process to its present state. Experimental details, coal characteristics, and gasification data are supplied for many of the experiments. 69 refs.
Role of HD-Zip transcription factors in plant development and stress responses (2016)

The HD-Zip transcription factors are unique to the plant kingdom. These proteins exhibit both a homeodomain with an adjacent leucine zipper motif in a single combination which is unique in all eukaryotes. They can be divided into four subfamilies, depending on some charactesistic features which include their respective DNA-binding specificities, gene structures, presence of additional common motifs and physiological functions. HD-Zip proteins exist in almost all tissues and organs of higher plants. They mainly participated in plants growth, development, morphological formation, regulation of biotic and abiotic stress responses and modulate the action of hormones. Here, we make an effort to review recent experimental evidences explored for this family of transcription factors from a wide variety of plant species to unravel their pivotal function in various important aspects related to plant growth, development and adaptation to environment.
Effect of Oxidation on Wear in C/C Aircraft Disk Brakes (2014)

Carbon-carbon (C/C) composites are extensively used in aircraft disk brake because of their low weight, excellent thermal and mechanical properties, chemical inertness and self-lubricating capability. They retain their mechanical strength in inert atmosphere up to 20000 C. However, in oxidizing environments, C/C composites rapidly react with oxygen forming gaseous carbon oxides around 4500 C. Oxidation and coefficient of friction are important factors, which result in wear and controls life of the C/C composite. Previously work has been done to study the life of C/C composite considering only coefficient of friction in the wear simulation method. In thiswork,the effect of both oxidation and coefficient of friction is considered in the numerical simulation method to investigate the behaviour of a C/C composite disk brake.
Simultaneous genome-wide haplotyping and copy number detection enables universal equine preimplantation genetic testing (2023)

Abstract In different species, embryonic chromosomal aneuploidies are a major cause of developmental failure. The increasing number of equine embryos being produced worldwide provides the opportunity to characterize and rank or select embryos based on their genetic profile prior to transfer. Here, we explore the possibility of generic, genome-wide preimplantation genetic testing concurrently for aneuploidies (PGT-A), monogenic (PGT-M) and polygenic (PGT-P) traits and diseases in the horse. To this end, over 70,000 single nucleotide polymorphism positions were genotyped in 14 trophectoderm biopsies and corresponding biopsied blastocysts, and in 26 individual cells from six arrested embryos. Subsequently, concurrent genome-wide copy number detection and haplotyping by haplarithmisis was performed and the inherited parental haplotypes for four common disease-associated genes with high carrier frequency in different horse breeds ( GBE1, PLOD1, B3GALNT2, MUTYH ), and for one color coat-associated gene ( STX17 ) were determined and compared in biopsy-blastocyst combinations. The inherited parental haplotypes for loci of interest and the euploid (n = 12) or aneuploid (n = 2) state of the biopsied whole embryos were predicted by the biopsy samples in all successfully analyzed embryos. Two biopsies showed a loss of maternal chromosome 28 and 31, respectively, which were confirmed in the corresponding blastocysts. In one of those biopsies, additional complex aneuploidies not present in the blastocyst were found. Five out of six arrested embryos contained chromosomal and/or genome-wide errors in most of their cells, demonstrating the contribution of aneuploidy to equine embryonic arrest in vitro . The application of universal PGT would allow to select equine embryos devoid of genetic errors and pathogenetic variants, and with the variants of interest, which will improve foaling rate and horse quality. We believe this approach will be a gamechanger in horse breeding.
The crosstalk between PTEN ‐induced kinase 1‐mediated mitophagy and the inflammasome in the pathogenesis of alopecia areata (2023)

Alopecia areata (AA) is a T-cell-mediated autoimmune disease that causes chronic, relapsing hair loss; however, its precise pathogenesis remains to be elucidated. Recent studies have provided compelling evidence of crosstalk between inflammasomes and mitophagy-a process that contributes to the removal of damaged mitochondria. Our previous studies showed that the NLR family pyrin domain containing 3 (NLRP3) inflammasome is important for eliciting and progressing inflammation in AA. In this study, we detected mitochondrial DNA damage in AA-affected scalp tissues and IFNγ and poly(I:C) treated outer root sheath (ORS) cells. In addition, IFNγ and poly(I:C) treatment increased mitochondrial reactive oxygen species (ROS) levels in ORS cells. Moreover, we showed that mitophagy induction alleviates IFNγ and poly(I:C)-induced NLRP3 inflammasome activation in ORS cells. Lastly, PTEN-induced kinase 1 (PINK1) knockdown increased NLRP3 inflammasome activation, indicating that PINK1-mediated mitophagy plays a critical role in NLRP3 inflammasome activation in ORS cells. This study supports previous studies showing that oxidative stress disrupts immune privilege status and promotes autoimmunity in AA. The results emphasize the significance of crosstalk between mitophagy and inflammasomes in the pathogenesis of AA. Finally, mitophagy factors regulating mitochondrial dysfunction and inhibiting inflammasome activation could be novel therapeutic targets for AA.
Melatonin protects against lipid peroxidation and membrane rigidity in erythrocytes from patients undergoing cardiopulmonary bypass surgery (2003)

The first aim of this study was to test whether there are changes in erythrocyte lipid peroxidation products and membrane fluidity during cardiac surgery involving cardiopulmonary bypass. Secondly, in vitro tests were performed to examine whether melatonin alters induced lipid peroxidation and reduced membrane fluidity in erythrocytes from these patients. Fifteen patients undergoing cardiac surgery involving cardiopulmonary bypass (CPB) were selected. Five blood samples were taken at different times during surgery for analysis of thiobarbituric acid reactive substances (TBARS) content and membrane fluidity of the erythrocytes. TBARS are an index of the level of lipid peroxidation. The results revealed an increase in TBARS levels and a parallel decrease in erythrocyte membrane fluidity (increased membrane rigidity) after the onset of CPB with respect to the reference sample. Likewise, in vitro induction of lipid peroxidation in the erythrocyte samples from CPB patients followed a similar pattern. The changes in TBARS levels and membrane fluidity were suppressed by pre-incubation of erythrocytes with melatonin prior to the induction (by 70 microm Fe2+ + 250 microm ascorbate) of lipid peroxidation in a concentration-dependent manner. The results constitute a persuasive argument for the use of melatonin for preventive and therapeutic purposes during CPB.
O-013. An alternative source of oocytes (1999)

somatic cell nuclei of human or murine origin. This study supports the possibility that somatic cell haploidization can be used to provide a source of viable oocytes.
Exact solution for four-order acousto-optic Bragg diffraction with arbitrary initial conditions (2009)

An exact solution to the four-order acousto-optic (AO) Bragg diffraction problem with arbitrary initial conditions compatible with exact Bragg angle incident light is developed. The solution, obtained by solving a 4th-order differential equation, is formalized into a transition matrix operator predicting diffracted light orders at the exit of the AO cell in terms of the same diffracted light orders at the entrance. It is shown that the transition matrix is unitary and that this unitary matrix condition is sufficient to guarantee energy conservation. A comparison of analytical solutions with numerical predictions validates the formalism. Although not directly related to the approach used to obtain the solution, it was discovered that all four generated eigenvalues from the four-order AO differential matrix operator are expressed simply in terms of Euclid's Divine Proportion.
Sensitivity of a Strained C–C Single Bond to Charge Transfer: Redox Activity in Mononuclear and Dinuclear Ruthenium Complexes of Bis(arylimino)acenaphthene (BIAN) Ligands (2014)

The new compounds [Ru(acac)2(BIAN)], BIAN = bis(arylimino)acenaphthene (aryl = Ph (1a), 4-MeC6H4 (2a), 4-OMeC6H4 (3a), 4-ClC6H4 (4a), 4-NO2C6H4 (5a)), were synthesized and structurally, electrochemically, spectroscopically, and computationally characterized. The α-diimine sections of the compounds exhibit intrachelate ring bond lengths 1.304 Å < d(CN) < 1.334 and 1.425 Å < d(CC) < 1.449 Å, which indicate considerable metal-to-ligand charge transfer in the ground state, approaching a Ru(III)(BIAN(•-)) oxidation state formulation. The particular structural sensitivity of the strained peri-connecting C-C bond in the BIAN ligands toward metal-to-ligand charge transfer is discussed. Oxidation of [Ru(acac)2(BIAN)] produces electron paramagnetic resonance (EPR) and UV-vis-NIR (NIR = near infrared) spectroelectrochemically detectable Ru(III) species, while the reduction yields predominantly BIAN-based spin, in agreement with density functional theory (DFT) spin-density calculations. Variation of the substituents from CH3 to NO2 has little effect on the spin distribution but affects the absorption spectra. The dinuclear compounds {(μ-tppz)[Ru(Cl)(BIAN)]2}(ClO4)2, tppz = 2,3,5,6-tetrakis(2-pyridyl)pyrazine; aryl (BIAN) = Ph ([1b](ClO4)2), 4-MeC6H4 ([2b](ClO4)2), 4-OMeC6H4 ([3b](ClO4)2), 4-ClC6H4 ([4b](ClO4)2), were also obtained and investigated. The structure determination of [2b](ClO4)2 and [3b](ClO4)2 reveals trans configuration of the chloride ligands and unreduced BIAN ligands. The DFT and spectroelectrochemical results (UV-vis-NIR, EPR) indicate oxidation to a weakly coupled Ru(III)Ru(II) mixed-valent species but reduction to a tppz-centered radical state. The effect of the π electron-accepting BIAN ancillary ligands is to diminish the metal-metal interaction due to competition with the acceptor bridge tppz.
Phase 1/2 trial of acalabrutinib plus pembrolizumab (Pem) in relapsed/refractory (r/r) diffuse large B-cell lymphoma (DLBCL). (2019)

7519 Background: Acalabrutinib, a highly selective, potent, covalent Bruton tyrosine kinase (BTK) inhibitor, has a 24% overall response rate (ORR) as a single agent in R/R DLBCL. Pem targets PD-1, an immune checkpoint that limits anticancer responses. Pem showed responses in patients (pts) with Richter transformation who failed ibrutinib and can augment acalabrutinib activity in vitro. This study assessed acalabrutinib + Pem in R/R DLBCL. Methods: Pts with DLBCL, ≥1 prior chemoimmunotherapy and no prior allogeneic transplant received acalabrutinib 100 mg PO BID until progressive disease (PD) + Pem 200 mg/kg IV Q3W up to 2 y. Germinal center B-cell (GCB) vs non-GCB subtype was assessed by immunohistochemistry. Primary endpoint was safety. Results: Sixty-one pts (30 GCB; 31 non-GCB) were accrued, with a median age (range) of 67 y (30-85) and a median of 3 (1-8) prior therapies; 1 pt had prior autologous transplant. The most common Gr 3/4 adverse events (AEs) were neutropenia (15%) and anemia (11%). Gr 5 AEs were respiratory failure (n=3), sepsis, septic shock and abdominal abscess (n=1 each). All Gr atrial fibrillation was 5% (n=3), and major hemorrhage (≥ Gr 3) was 11% (4 gastrointestinal, 1 pulmonary, 1 epistaxis, 1 hematuria). Gr 3/4 immune-mediated events were elevated alanine aminotransferase (n=4), pneumonitis (n=2) and colitis (n=1). The ORR was 26% (Table) and was similar in GCB (27%) and non-GCB (26%) tumors. The median time on study was 5.2 mo (0.4-30.4+). Acalabrutinib/Pem discontinuations were due to PD (62%/56%) and AEs (15%/26%). As of June 2018, 10 pts remain on study; 6 on active therapy and 7 without PD. Conclusions: Acalabrutinib + Pem was well tolerated, with meaningful activity and some exceptional responders (&gt;24 mo) in these R/R DLBCL pts. Randomized trials of the combination vs single agent are needed. Clinical trial information: NCT02362035. [Table: see text]
IDA in action 1993-1996 : the pursuit of sustained poverty reduction (1997)

The International Development Association (IDA), the World Bank Group's concessional lending window, provides long-term loans at zero interest to the poorest of the developing countries. This report reviews IDA's assistance to its borrowers during the three-year IDA10 period (FY 94-96). The present overview of the IDA builds on the annual reports covering developments in the first two years of IDA10, and complements a number of other reports that provide more detailed information and a more thorough analysis of key aspects of IDA operations. The report's structure reflects IDA's increasing emphasis on implementation. The first section describes the broad context of the world economy, along with information on poverty trends in IDA countries. The second section shows how IDA assisted borrowers during the past three years, along with indicators of the outcome of IDA's programs during this period. The third section reviews the main areas of emphasis in the projects and initiatives launched during the IDA10 period that will be implemented in the years ahead to help reduce poverty and attain environmentally sustainable growth. The last section describes the aggregate uses and sources of IDA10 resources.
Adsorption of Athabasca Vacuum Residues and Their Visbroken Products over Macroporous Solids: Influence of Their Molecular Characteristics (2011)

An adsorption study of Athabasca vacuum residue (VR) and its visbroken (VB) products over in-house made macroporous Ca–kaolin and Ca–Ba–kaolin adsorbents was carried out at ambient temperatures. Adsorption experiments were performed for 120 min in toluene solution of the adsorbates, monitored via ultraviolet–visible (UV–vis) spectrophotometry to determine the corresponding uptake. The extent of the uptake was correlated with molecular parameters obtained from 1H and 13C nuclear magnetic resonance (NMR) spectroscopy, elemental analysis, and solubility profiles to determine which properties may enhance the adsorption. It was found that the severity of thermal cracking induced noticeable changes in solubility profiles, aromaticity (fa), total naphthenic carbon (TNC), and secondary methylene groups on the corresponding products. Furthermore, heteroatom content also changed with 545 °C+ conversions, leading to products with decreased sulfur contents and enhanced in nitrogen and oxygen as the severity increases. Higher uptakes were observed in adsorbates with more aromaticity, higher solubility profile, and higher nitrogen and oxygen contents. Trends between these molecular properties with uptakes allowed for the prediction of the potential adsorption capacity of the thermal-cracked products over this type of adsorbent.
Ret and Etv4 Promote Directed Movements of Progenitor Cells during Renal Branching Morphogenesis (2016)

Branching morphogenesis of the epithelial ureteric bud forms the renal collecting duct system and is critical for normal nephron number, while low nephron number is implicated in hypertension and renal disease. Ureteric bud growth and branching requires GDNF signaling from the surrounding mesenchyme to cells at the ureteric bud tips, via the Ret receptor tyrosine kinase and coreceptor Gfrα1; Ret signaling up-regulates transcription factors Etv4 and Etv5, which are also critical for branching. Despite extensive knowledge of the genetic control of these events, it is not understood, at the cellular level, how renal branching morphogenesis is achieved or how Ret signaling influences epithelial cell behaviors to promote this process. Analysis of chimeric embryos previously suggested a role for Ret signaling in promoting cell rearrangements in the nephric duct, but this method was unsuited to study individual cell behaviors during ureteric bud branching. Here, we use Mosaic Analysis with Double Markers (MADM), combined with organ culture and time-lapse imaging, to trace the movements and divisions of individual ureteric bud tip cells. We first examine wild-type clones and then Ret or Etv4 mutant/wild-type clones in which the mutant and wild-type sister cells are differentially and heritably marked by green and red fluorescent proteins. We find that, in normal kidneys, most individual tip cells behave as self-renewing progenitors, some of whose progeny remain at the tips while others populate the growing UB trunks. In Ret or Etv4 MADM clones, the wild-type cells generated at a UB tip are much more likely to remain at, or move to, the new tips during branching and elongation, while their Ret-/- or Etv4-/- sister cells tend to lag behind and contribute only to the trunks. By tracking successive mitoses in a cell lineage, we find that Ret signaling has little effect on proliferation, in contrast to its effects on cell movement. Our results show that Ret/Etv4 signaling promotes directed cell movements in the ureteric bud tips, and suggest a model in which these cell movements mediate branching morphogenesis.