gebhart/patrepeval huggingface dataset:
Long-Lived Charge Separation in a Dyad of Closely-Linked Subphthalocyanine-Zinc Porphyrin Bearing Multiple Triphenylamines (2009)

Photoinduced intramolecular events of the newly synthesized multimodular system composed of three triphenylamine (TPA) entities covalently substituted at the meso positions of the zinc porphyrin ring (ZnP), which is linked with the dodecafluorosubphthalocyanine SubPc(F)12 at its axial position with the B−O bond have been examined. Appreciable electronic interactions between the meso-substituted TPA entities and the ZnP π-system were observed, and as a consequence, ZnP(TPA)3 acts as an electron-donor, whereas the SubPc(F)12 moiety acts as an excellent electron-acceptor unit in the multimodular conjugate, ZnP(TPA)3−SubPc(F)12. The computational studies performed by the DFT-B3LYP at the 6-31G level revealed delocalization of the highest occupied molecular orbital (HOMO) over the (TPA)3 entities and the porphyrin macrocycle, while the lowest unoccupied molecular orbital (LUMO) is localized on SubPc(F)12. Free-energy calculations suggested that the light-induced processes from the excited states of ZnP(TPA)3 are exothermic in both polar benzonitrile and nonpolar toluene and benzene. The occurrence of fast and efficient charge-separation processes (∼1012 s−1) via the singlet excited state of ZnP(TPA)3 was confirmed by the femtosecond transient absorption spectral measurements in polar and nonpolar solvents. The delocalization of the π-cation radical species over the donor ZnP(TPA)3, the lower energy of the radical-ion pair, the particular characteristics of the axial B−O bond, and the triplet radical-ion pair character rationalize the charge stabilization of (ZnP(TPA)3)•+−(SubPc(F)12)•− with extremely long lifetime (370 μs) compared with the reported phthalocyanine-based compounds.
Is Sonographic Assessment of Fetal Weight Influenced by Formula Selection? (2009)

Fourteen formulas showed considerable variation of bias and precision in our population as well as a wide range of sensitivities and specificities for SGA. The choice of the appropriate formula for EFW in a given population should be based on objective and explicit criteria. Consideration of bias and precision for the formula in the population being assessed is critical and may affect clinical care.
ChemInform Abstract: Acetal‐Initiated Cyclizations of Vinylsilanes. A General Synthesis of Allylically Unsaturated Oxacyclics. (1986)

Abstract Alkylation of the lithium reagent derived from the bromide (II) with the iodide (1) affords the (Z)‐vinylsilane acetal (IIIa), which is cyclized to provide the tetrahydropyran (IVa).
Design of Highly Active Analogues of the Pyrrolo[1,2-a]benzimidazole Antitumor Agents (1999)

The pyrrolo[1,2-a]benzimidazole (PBI) reductive alkylating agents have been investigated in this laboratory since their discovery in the late 1980s. Of all the structural modifications of the PBIs investigated so far, the variation of the 3-substituent has the greatest influence on cytotoxicity, toxicity, and in vivo antitumor activity. In the present study, we prepared both the R and S enantiomers of nitrogen-containing 3-substituents possessing hydrogen-bonding capability as well as varying basicity. The rationale was to take advantage of stereoselective DT-diaphorase reductive activation as well as hydrogen bonding in the DNA major groove. As a result of these studies, analogues were discovered possessing among the highest hollow fiber tumor assay scores observed in hundreds of natural and synthetic antitumor agents. Our findings indicate that a relatively basic 3-substituent is required for outstanding PBI cytotoxicity but that the importance of using pure enantiomers is still open to study.
The Noninferiority of the Nonparticulate Steroid Dexamethasone vs the Particulate Steroids Betamethasone and Triamcinolone in Lumbar Transforaminal Epidural Steroid Injections (2013)

This retrospective observational study reveals no evidence that dexamethasone is less effective than particulate steroids in lumbar TFESIs performed for radicular pain with or without radiculopathy.
Automated micro-tracking planar solar concentrators (2011)

One aim of solar concentrators is to reduce the cost of a solar power systems by reducing the amount of expensive semiconductor used in exchange for optical concentrating components and tracking mechanics. Solar trackers rotate the solar panel or concentrator so that direct normal incidence is maintained throughout the day. As concentration increases, so does the required complexity and precision of the tracking mechanics. This increased precision results in a larger fraction of the total system cost in tracking. In this thesis I will present an alternative to large-scale two-axis mechanical trackers that relies on the unique geometry of the planar micro- optic solar concentrator. at the focal point of each lens. The facets reflect incoming light into guided modes of the waveguide towards edge-mounted photo-voltaic (PV) cells. This type of concentrator is compatible with traditional solar trackers but its unique geometry allows for more flexibility. By laterally translating the lens array with respect to the waveguide it is possible to couple off-axis light into the PV cell. In this work I evaluate some different implementations of the planar micro-optic solar concentrator optimized for this type of tracking, discuss a designed and implemented mechanical tracking platform to house the concentrator, and cover the electrical control and feedback used to maintain alignment. I then present some measurements from the system demonstrating functional tracking
Coherence Traffic in Manycore Processors with Opaque Distributed Directories (2020)

Manycore processors feature a high number of general-purpose cores designed to work in a multithreaded fashion. Recent manycore processors are kept coherent using scalable distributed directories. A paramount example is the Intel Mesh interconnect, which consists of a network-on-chip interconnecting "tiles", each of which contains computation cores, local caches, and coherence masters. The distributed coherence subsystem must be queried for every out-of-tile access, imposing an overhead on memory latency. This paper studies the physical layout of an Intel Knights Landing processor, with a particular focus on the coherence subsystem, and uncovers the pseudo-random mapping function of physical memory blocks across the pieces of the distributed directory. Leveraging this knowledge, candidate optimizations to improve memory latency through the minimization of coherence traffic are studied. Although these optimizations do improve memory throughput, ultimately this does not translate into performance gains due to inherent overheads stemming from the computational complexity of the mapping functions.
Improved shrunken centroid classifiers for high-dimensional class-imbalanced data (2013)

The results obtained on simulated and real high-dimensional class-imbalanced data show that our approach outperforms the currently used strategy based on the minimization of the overall error rate when NSC classifiers are biased towards the majority class. The number of variables included in the NSC classifiers when using our approach is much smaller than with the original approach. This result is supported by experiments on simulated and real high-dimensional class-imbalanced data.
N-acetyl-L-cysteine protects against inhaled sulfur mustard poisoning in the large swine (2013)

Beneficial effects of nebulized NAC were apparent following inhaled sulfur mustard exposure. Further therapeutic benefit may result from a combination therapy approach.
Laser Doppler Imaging of Reactive Hyperemia Exposes Blood Flow Deficits in a Rat Model of Experimental Limb Ischemia (2009)

The primary pathophysiology of peripheral artery occlusive disease is associated with impaired perfusion to the lower extremities. The lack of effective pharmacologic agents to treat this disease emphasizes the need for well-characterized animal models that can be used to evaluate the efficacy of emerging therapies. A major limitation with the current animal models of peripheral artery occlusive disease is that the variety of surgical methods employed to reduce peripheral blood flow produce differences in the severity and time course of the resting and reserve blood flow deficits. Furthermore, the methods used to evaluate the restoration of peripheral flow are often not suitable for serial measurements. This study used laser Doppler imaging to serially evaluate resting blood flow and the development of a functional collateral circulation after the induction of hind limb ischemia in the rat. Reserve blood flow was assessed by measuring hyperemic blood flow in the hind paw after temporary arterial occlusion. The magnitude of the hyperemic response was found to be dependent upon both the duration of arterial occlusion and the measurement time after release of the occluder. After ligation of the common iliac artery, but at a time when resting blood flow was reestablished, hyperemic tests unmasked a sustained deficit in reserve blood flow capacity that persisted for at least 14 days. Therefore, the use of a noninvasive vascular occluder and laser Doppler imaging represents a sensitive and consistent technique to measure peripheral blood flow status to assess the development of functional collateral vessels. These findings will enhance the ability to effectively study pharmacologic therapies aimed at promoting the growth and development of collateral vessels.
Therapeutic Benefit of Bone Marrow–Derived Endothelial Progenitor Cell Transplantation after Experimental Aneurysm Embolization with Coil in Rats (2014)

Aneurysm embolization with coil is now widely used clinically. However, the recurrence of aneurysms after embolization has always plagued neurosurgeons because the endothelial layer of the aneurysm neck loses its integrity after being embolized by coil. Bone marrow-derived endothelial progenitor cells (BM-EPCs) could be incorporated into injured endothelium and differentiate into mature endothelial cells during vascular repairing processes. The aim of our study is to explore the effects of BM-EPCs on aneurysm repairing and remodeling in a rat embolization model of abdominal aortic aneurysm. BM-EPC proliferation, migration and tube formation were not affected by super-paramagnetic iron oxide nanoparticle (SPIO) labeling compared to the controls (p>0.05). The number of SPIO-labeled cells greatly increased in EPC transplanted rats compared to that of phosphate buffered saline treated rats. SPIO-labeled EPC (SPIO-EPC) are mainly located in the aneurysm neck and surrounded by fibrous tissue. A histology study showed that the aneurysm orifice was closed with neointima and the aneurysm was filled with newly formed fibrous tissue. The SPIO-EPC accumulated in the aneurysm neck, which accelerated focal fibrous tissue remodeling, suggesting that BM-EPCs play a crucial role in repairing and remodeling the aneurysm neck orifice.
Design and Implementation of a Contents Recommendation System in Mobile Environments (2011)

인터넷을 통해 배포되는 방대한 양의 콘텐츠에서 사용자의 취향에 적합한 콘텐츠를 제공하는 것은 추천 시스템의 중요한 요소라고 할 수 있다. 이를 위한 기존의 추천 시스템은 사용자의 프로파일과 상황정보를 활용한 알고리즘에만 중점을 두고 연구가 진행되어 추천의 정확도 향상에 크게 기여하였다. 그러나 SP(Service Provider)의 BM(Business Model)에 대한 충분한 검토가 함께 이루어지지 않았기 때문에 SP가 요구하는 추천 시스템의 구축은 기존 연구를 통해 해결하기엔 한계가 존재한다. 이에 본 논문에서는 사용자의 복합 상항정보를 이용하여 CP(Contents Provider)의 콘텐츠를 검색하고, SP의 BM에 적합한 콘텐츠를 추천하기 위해 추천 가중치 기법을 적용한 모바일 추천 시스템을 제안한다. 또한, 제안된 프로토타입 시스템의 검증을 위해 사용자 프로파일과 상황정보를 결합하는 복합 상황 정보와 SP에 의한 추천 가중치를 적용한 놀이기구 추천 서비스를 구현한다. The key issues of recommendation systems provide the contents satisfying the interests of users for the huge amounts of contents over internet. The existing recommendation system use the algorithms considering the users' profiles and context information to enhance the exactness of a recommendation. However, the existing recommendation system can't satisfy the requirements of service providers because the business models of service providers is not considered. In this paper, we propose the mobile recommendation system using the composite contexts and the recommendation weights applying the business model of service providers. The proposed system retrieves the contents of the contents providers using composite context information and apply the recommendation weights to recommend the suitable contents for the business models of service providers. Therefore, we provide the contents satisfying the consumption value of users and the business models of service providers to mobile users.
Supplementary Table 2 from Acquired Resistance Mutations to ALK Inhibitors Identified by Single Circulating Tumor Cell Sequencing in <i>ALK</i>-Rearranged Non–Small-Cell Lung Cancer (2023)

&lt;p&gt;Supplementary Table 2&lt;/p&gt;
Effect of acid suppression on gastric myoelectrical activity in GERD. (2009)

The effect of acid suppression on gastric myoelectrical activity is subtle with an enhancement in normal gastric myoelectrical activity. The myoelectrical response to acid suppression appears to be associated with esophagitis severity.
Comparison between Constrained and Semiconstrained Knee Allograft-Prosthesis Composite Reconstructions (2013)

Allograft-prosthesis composite (APC) can restore capsular and ligamentous tissues of the knee sacrificed in a tumor extirpation. We asked if performing APC would restore knee stability and allow the use of nonconstrained arthroplasty while preventing aseptic loosening. We retrospectively compared 50 knee APCs performed with non-constrained revision knee prosthesis (Group 1) with 36 matched APCs performed with a constrained prosthesis (Group 2). In Group 1, the survival rate was 69% at five and 62% at ten years. Sixteen reconstructions were removed due to complications: eight deep infections, three fractures, two instabilities, one aseptic loosening, one local recurrence, and one nonunion. In Group 2, the survival rate was 80% at five and 53% at ten years. Nine reconstructions were removed: 3 due to deep infections, 3 to fractures, and 3 to aseptic loosening. In both groups, we observed more allograft fractures when the prosthetic stem does not bypass the host-donor osteotomy (P > 0.05). Both groups had mainly good or excellent MSTS functional results. Survival rate and functional scores and aseptic loosening were similar in both groups. A rotating-hinge APC is recommended when host-donor soft tissue reconstruction fails to restore knee instability. The use of a short prosthetic stem has a statistical relationship with APC fractures.
Laboratory Measurement of Hydraulic-Fracture Conductivities in the Barnett Shale (2014)

Summary Horizontal wells that intersect multistage transverse fractures created by low-viscosity fracturing fluid with low proppant loadings are the key to revitalizing production from the Mississippian Barnett shale in the Fort Worth basin in Texas. However, direct laboratory measurements of both natural- and induced-fracture conductivities under realistic experimental-design conditions are needed for reliable well-performance analysis and fracture-design optimization. In this work, a series of experiments was conducted to measure the conductivity of unpropped natural fractures, propped natural fractures, unpropped induced fractures, and propped induced fractures with a modified American Petroleum Institute (API) conductivity cell at room temperature. Fractures were induced along the natural bedding planes, preserving fracture-surface asperities. Natural-fracture infill was taken into consideration during conductivity measurements. Proppants of various sizes were placed manually between rough fracture surfaces at realistic concentrations. The two sides of the rough fractures either were aligned or were displaced with a 0.1-in. offset. After pressure testing on the system integrity, nitrogen was flowed through the proppant pack or unpropped fracture to measure the conductivity. Results from 88 experiments show that the conductivity of hydraulic fractures in shale can be measured accurately in a laboratory with appropriate experimental procedures and good control over experimental errors. It is proved that unpropped, aligned fractures can provide a conductive path after removal of free particles and debris because of the brittleness and lamination of shale. Moreover, poorly cemented natural fractures and unpropped displaced fractures can create conductivities of up to 0.5 md-ft at formation-closure stress, which is one to two orders of magnitude greater than the conductivity provided by cemented natural fractures and unpropped aligned fractures. This study shows that propped-fracture conductivity increases with larger proppant size and higher proppant concentration. Longer-term fracture-conductivity measurements indicate that, within 20 hours, the fracture conductivity could be reduced by as much as 20%.
Stress signaling in plants: a mitogen-activated protein kinase pathway is activated by cold and drought. (1996)

Yeast and animals use mitogen-activated protein (MAP) kinase cascades to mediate stress and extracellular signals. We have tested whether MAP kinases are involved in mediating environmental stress responses in plants. Using specific peptide antibodies that were raised against different alfalfa MAP kinases, we found exclusive activation of p44MMK4 kinase in drought- and cold-treated plants. p44MMK4 kinase was transiently activated by these treatments and was correlated with a shift in the electrophoretic mobility of the p44MMK4 protein. Although transcript levels of the MMK4 gene accumulated after drought and cold treatment, no changes in p44MMK4 steady state protein levels were observed, indicating a posttranslational activation mechanism. Extreme temperatures, drought, and salt stress are considered to be different forms of osmotic stress. However, high salt concentrations or heat shock did not induce activation of p44MMK4, indicating the existence of distinct mechanisms to mediate different stresses in alfalfa. Stress adaptation in plants is mediated by abscisic acid (ABA)-dependent and ABA-independent processes. Although ABA rapidly induced the transcription of an ABA-inducible marker gene, MMK4 transcript levels did not increase and p44MMK4 kinase was not activated. These data indicate that the MMK4 kinase pathway mediates drought and cold signaling independently of ABA.
Vancomycin Analogues Containing Monosaccharides Exhibit Improved Antibiotic Activity: A Combined One‐Pot Enzymatic Glycosylation and Chemical Diversification Strategy (2006)

Many natural products contain carbohydrate moieties that contribute to their biological activity. Manipulation of the carbohydrate domain of natural products through multiple glycosylations to identify new derivatives with novel biological activities has been a difficult and impractical process. We report a practical one-pot enzymatic approach with regeneration of cosubstrates to synthesize analogues of vancomycin that contain an N-alkyl glucosamine, which exhibited marked improvement in antibiotic activity against a vancomycin-resistant strain of Enterococcus.
Anogenital papillomavirus infections in children (1998)

Over the years, our impression of human papillomavirus has changed. Once thought of as the cause of relatively insignificant skin lesions, its significant role in malignancy of epithelia and mucosa throughout the body is beginning to be understood. Also changing, although not as rapidly as we would like is our understanding of how human papillomavirus infects the body, the concept of latency, our responses to infection, and how to modify or boost those responses so as to overcome infection. Research into the specifics of how our immune systems react, or why they do not, should give us better insight into how and why treatment therapies work and how to optimize them. Further work into vaccines may provide the means to eradicate the virus from infected persons, as well as to prevent the initial infections.
Abstract C54: Aryl-N-(1H-imidazol-2-yl)-acetamides: Nonpeptidic binders of Bir3 cIAP protein. (2013)

Abstract Inhibitor of Apoptosis Proteins (IAP) negatively regulate cell death through a caspase-3 and caspase-7 activation. IAP inhibitors (IAPi) were derived from the peptide sequence Alanine-Valine-Proline (AVP) based on Smac-protein binding to the BIR-3 domain of IAP protein. These peptidic compounds are low molecular weight and mimic Smac when binding to the BIR3 domain of XIAP, CIAP1, and CIAP2. However, peptides generally suffer from poor permeability that can potentially influence the amount of drugability largely due to the amide backbone and an alternate chemotype was sought. In an effort to find a replacement for AVP scaffolds, an FBS by NMR identified indole-carboxylic acid 1 as a hit in competitive binding studies. The indole scaffold was further refined through FEPOP, virtual screening, and SAR leading to the benzimidazole scaffold which upon further docking studies resulted in 2-aminobenzimidazole 2. In silico tools were utilized to propose a synthetic pharmacophore which resulted in a phenyl-hetero-imidazole tricyclic series peptidomimetic with only one amide moiety. Citation Information: Mol Cancer Ther 2013;12(11 Suppl):C54. Citation Format: Mark G. Palermo, Rohan Beckwith, Christopher S. Straub, Kara Herlihy, Yiping Shen, Xiaolu Zhang, Matthew Clapham, Brian Hurley. Aryl-N-(1H-imidazol-2-yl)-acetamides: Nonpeptidic binders of Bir3 cIAP protein. [abstract]. In: Proceedings of the AACR-NCI-EORTC International Conference: Molecular Targets and Cancer Therapeutics; 2013 Oct 19-23; Boston, MA. Philadelphia (PA): AACR; Mol Cancer Ther 2013;12(11 Suppl):Abstract nr C54.
Computational Modeling and Constructal Design Theory Applied to the Geometric Optimization of Thin Steel Plates with Stiffeners Subjected to Uniform Transverse Load (2020)

Stiffened thin steel plates are structures widely employed in aeronautical, civil, naval, and offshore engineering. Considering a practical application where a transverse uniform load acts on a simply supported stiffened steel plate, an approach associating computational modeling, Constructal Design method, and Exhaustive Search technique was employed aiming to minimize the central deflections of these plates. To do so, a non-stiffened plate was adopted as reference from which all studied stiffened plate’s geometries were originated by the transformation of a certain amount of steel of its thickness into longitudinal and transverse stiffeners. Different values for the stiffeners volume fraction (φ) were analyzed, representing the ratio between the volume of the stiffeners’ material and the total volume of the reference plate. Besides, the number of longitudinal (Nls) and transverse (Nts) stiffeners and the aspect ratio of stiffeners shape (hs/ts, being hs and ts, respectively, the height and thickness of stiffeners) were considered as degrees of freedom. The optimized plates were determined for all studied φ values and showed a deflection reduction of over 90% in comparison with the reference plate. Lastly, the influence of the φ parameter regarding the optimized plates was evaluated defining a configuration with the best structural performance among all analyzed cases.