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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 973 records · Page 54

Self‐Consistent Convolutional Density Functional Approximations: Application to Adsorption at Metal Surfaces

The exchange-correlation (XC) functional in density functional theory is used to approximate multi-electron interactions. A plethora of different functionals are available, but nearly all are based on the hierarchy of inputs commonly referred to as “Jacob's ladder.” This paper introduces an approach to construct XC functionals with inputs from convolutions of arbitrary kernels with the electron density, providing a route to move beyond Jacob's ladder. We derive the variational derivative of these functionals, showing consistency with the generalized gradient approximation (GGA), and provide equations for variational derivatives based on multipole features from convolutional kernels. A proof-of-concept functional, PBEq, which generalizes the PBEα framework with mathematical equation being a spatially-resolved function of the monopole of the electron density, is presented and implemented. It allows a single functional to use different GGAs at different spatial points in a system, while obeying PBE constraints. Analysis of the results underlines the importance of error cancellation and the XC potential in data-driven functional design. After testing on small molecules, bulk metals, and surface catalysts, the results indicate that this approach is a promising route to simultaneously optimize multiple properties of interest.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Do Remote Camera Arrangements and Image Capture Settings Improve Individual Identification of Golden Eagles?

Individual identification of animals from camera traps has become an important task in wildlife research, but camera deployment methods often do not facilitate this important undertaking. Identification of individual golden eagles (Aquila chrysaetos) is possible using uniquely marked rectrices, but no studies have explored methods to maximize the rate of individual identification from camera images. Furthermore, our objectives were to assess whether different camera heights (1 m vs. 3 m), image capture settings (one image after a 1-min delay vs. burst of 5 images after a 30 sec delay), and arrangements relative to bait (dorsally vs. ventrally aimed) affected views of rectrices on golden eagles and our ability to identify individuals. We conducted our study from 15 December 2016 to 3 March 2017 on the Savannah River Site, South Carolina. First, we developed a scoring system based on views of rectrices and used a linear mixed-effects model to compare image scores among different camera arrangements and image settings. Next, after identifying individual eagles, we used generalized linear mixed-effects models to compare total individual eagle detections, total days an individual was detected, and probability of obtaining an unknown individual identification among camera arrangements and settings. Overall, we scored a total of 27,499 images, with 8,083 providing views of marked rectrices that allowed identification of 18 individual eagles. Average image scores and proportion of images suitable for individual identification were higher from elevated (3 m) camera arrangements than standard arrangements (1 m) across sites. Regardless of camera height, faster frequency of image capture provided more images that could be used to identify individuals and the most trap days per individual. Researchers and managers should consider deploying elevated cameras traps with faster frequency of image capture to improve data quality and potential for analysis of golden eagle populations and trends across the species’ range.

60 APPLIED LIFE SCIENCES↗

Drug-Eluting Beads Loaded With Doxorubicin (DEBDOX) Chemoembolisation Before Liver Transplantation for Hepatocellular Carcinoma: An Imaging/Histologic Correlation Study

Purpose Most transplant centers use chemoembolisation as locoregional bridge therapy for hepatocellular carcinoma (HCC) before liver transplantation (LT). Chemoembolisation using beads loaded with doxorubicin (DEBDOX) is a promising technique that enables delivery of a large quantity of drugs against HCC. We sought to assess the imaging–histologic correlation after DEBDOX chemoembolisation.Materials and Methods All consecutive patients who had undergone DEBDOX chemoembolisation before receiving liver graft for HCC were included. Tumour response was evaluated according to Response Evaluation Criteria in Solid Tumours (RECIST) and modified RECIST (mRECIST) criteria. The result of final imaging made before LT was correlated with histological data to predict tumour necrosis.ResultsTwenty-eight patients underwent 43 DEBDOX procedures for 45 HCC. Therapy had a significant effect as shown by a decrease in the mean size of the largest nodule (p = 0.02) and the sum of viable part of tumour sizes according to mRECIST criteria (p < 0.001). An objective response using mRECIST criteria was significantly correlated with mean tumour necrosis ≥90 % (p = 0.03). A complete response using mRECIST criteria enabled accurate prediction of complete tumour necrosis (p = 0.01). Correlations using RECIST criteria were not significant.ConclusionOur data confirm the potential benefit of DEBDOX chemoembolisation as bridge therapy before LT, and they provide a rational basis for new studies focusing on recurrence-free survival after LT. Radiologic evaluation according to mRECIST criteria enables accurate prediction of tumour necrosis, whereas RECIST criteria do not.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Distinguishing Tidal Disruption Events from Impostors

Recent claimed detections of tidal disruption events (TDEs) in multi-wavelength data have opened potential new windows into the evolution and properties of otherwise dormant supermassive black holes (SMBHs) in the centres of galaxies. At present, there are several dozen TDE candidates, which share some properties and differ in others. The range in properties is broad enough to overlap other transient types, such as active galactic nuclei (AGN) and supernovae (SNe), which can make TDE classification ambiguous. A further complication is that “TDE signatures” have not been uniformly observed to similar sensitivities or even targeted across all candidates. This chapter both reviews those events that are unusual relative to other TDEs, including the possibility of TDEs in pre-existing AGN, and summarises those characteristics thought to best distinguish TDEs from continuously accreting AGN, strongly flaring AGN, SNe, and Gamma-Ray Bursts (GRBs), as well as other potential impostors like stellar collisions, “micro-TDEs,” and circumbinary accretion flows. We conclude that multiple observables should be used to classify any one event as a TDE. We also consider the TDE candidate population as a whole, which, for certain host galaxy or SMBH characteristics, is distinguishable statistically from non-TDEs, suggesting that at least some TDE candidates do in fact arise from SMBH-disrupted stars.

79 ASTRONOMY AND ASTROPHYSICS↗

Effects of Coatings on the High-Cycle Fatigue Life of Threaded Steel Samples

In this work, high-cycle fatigue is studied for threaded cylindrical high-strength steel samples coated using three different industrial processes: black oxidation, normal-temperature galvanization and high-temperature galvanization. The fatigue performance in air is compared with that of uncoated samples. Microstructural characterization revealed the abundant presence of small cracks in the zinc coating partially penetrating into the steel. This is consistent with the observation of multiple crack initiation sites along the thread in the galvanized samples, which led to crescent type fracture surfaces governed by circumferential growth. In contrast, the black oxidized and uncoated samples exhibited a semicircular segment type fracture surface governed by single-sided growth with a significantly longer fatigue life. Numerical fatigue life prediction based on an extended Paris-law formulation has been conducted on two different fracture cases: 2D axisymmetric multisided crack growth and 3D single-sided crack growth. The results of this upper-bound and lower-bound approach are in good agreement with experimental data and can potentially be used to predict the lifetime of bolted components.

36 MATERIALS SCIENCE↗

Optimizing Cardiac CTA Acquisition in Congenital Heart Disease

Purpose of Review: The purpose of this review of performance of cardiac computed tomographic angiography (CCTA) in patients with congenital heart disease (CHD) is to describe a strategy for optimizing CCTA protocols for various forms of CHD at diagnosis and throughout the lifetime of a patient. Recent Findings: Recent expert consensus statements provide key recommendations for patient selection and technical performance of CCTA with tips to optimize contrast injection, scan acquisition, and understanding anatomy and postoperative changes in patients with CHD. Spectral CT will become invaluable in acquiring image data which has potential for enabling improved image quality and perhaps physiologic information. Summary: CCTA is an important non-invasive imaging modality for making initial diagnosis and providing follow-up imaging in patients of all ages with CHD. Optimization of imaging protocols requires combined expertise in all forms of CHD, surgical palliation procedures, and knowledge of surgical options for CHD surgery.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Redox oxide@molten salt as a generalized catalyst design strategy for oxidative dehydrogenation of ethane via selective hydrogen combustion

Here, the current study demonstrates a redox oxide @ molten salt core-shell architecture as a generalized redox catalyst design strategy for chemical looping – oxidative dehydrogenation of ethane. 17 combinations of redox active oxides and molten salts were prepared, evaluated, and characterized. X-ray diffraction indicates that the redox oxides and molten salts are fully compatible, forming separate and stable phases. X-ray photoelectron spectroscopy demonstrates that the molten salts aggregate at the redox oxide surface, forming a core-shell structure to block the non-selective sites responsible for CO x formation. Up to ~74% single-pass olefin yields were achieved using the proposed redox catalyst design strategy. Statistical analyses of the performance data indicate the potential to achieve up to 86.7% single-pass yield by simply optimizing the operating conditions using the redox catalysts reported in this study. Meanwhile, the generalizability of the catalyst design strategy offers exciting opportunities to further optimize the composition and performance of the redox catalysts for ethane ODH under a chemical looping scheme with significantly reduced energy consumption and CO 2 emissions.

03 NATURAL GAS↗

Tetravalent anti-CD20/CD3 bispecific antibody for the treatment of B cell lymphoma

Bispecific antibodies (bsAbs) are second generation antibodies for therapeutic application in immunotherapy. One of the major strategies of the bsAb platform is the recruitment of immune effector T cells by incorporating an anti-CD3 domain. A bispecific T-cell engager (BiTE), with one end having an affinity for CD3 and the other end with affinity for CD19, has been approved in the US and Europe for the treatment of acute lymphoblastic leukemia. However, due to their small size and lack of Fc region, these single-chain variable fragment (scFv) bsAbs have short half-lives in vivo. Additionally, poor solubility, structural instability, and low production yields have also become major challenges in the bulk production process. To overcome these challenges, we have engineered a tetravalent bsAb with bivalent binding specificity for the CD20 and CD3 antigen in an immunoglobulin G (IgG) format. The fusion of the anti-CD3 scFvs to the CD20 antibody via a linker-hinge domain (LHD) results in improved antibody stabilization and properties. Here we demonstrate this antibody's highly efficient cancer cell elimination in a dose-dependent manner in a CD20-expressing B lymphoblastoid cell line in vitro. Our data suggest the potential clinical application of this bsAb for the treatment of CD20-expressing B cell malignancies. - Highlights: • A bispecific antibody (bsAb) can increase immunotherapeutic efficacy. • A tetravalent bsAb with binding specificity for the CD20 and CD3 antigens is proposed. • A linker-hinge domain (LHD) within the bsAb results in improved antibody properties.

60 APPLIED LIFE SCIENCES↗

Inhibition of MALAT1 sensitizes liver cancer cells to 5-flurouracil by regulating apoptosis through IKKα/NF-κB pathway

Highlights: • MALAT1 knockdown inhibits liver cancer cell proliferation. • MALAT1 silence enhances apoptosis and liver cancer cells sensibility to 5-FU incubation. • MALAT1 deficiency related increase in sensitivity of liver cancer cells was associated with regulation of NF-κB. • MALAT1 knockdown reduces tumor growth in vivo. Metastasis associated lung adenocarcinoma transcript 1 (MALAT1) is involved in tumor cell growth process. However, its role and molecular mechanism in liver cancer is still not fully understood. In this study, we found that MALAT1 was significantly expressed in liver cancer cell lines. And knockdown of MALAT1 suppressed proliferation, migration and invasion of HepG2 cells, accompanied with decrease of Rho-associated coiled-coil-forming protein kinase 1 (ROCK1), α-smooth muscle actin (α-SMA), N-cadherin, Vimentin and TWIST. Significantly, MALAT1 deletion sensitized HepG2 cells to 5-FU-induced cell cycle arrest in G1 phase, as evidenced by the significant reduction in Cyclin D1 and CDK4 and increase in p53, p21 and p27 protein levels. In addition, MALAT1 knockdown triggered 5-FU induced apoptosis in HepG2 cells by inducing intrinsic apoptosis-related signals, including Cyto-c, Apaf-1, cleaved Caspase-9/-7/-3 and poly (ADP-ribose) polymerase (PARP). Furthermore, phosphorylated nuclear factor-κB (p-NF-κB) was also down-regulated by MALAT1 silence. Importantly, suppression of IKKα/NF-κB significantly elevated apoptosis and reduced liver cancer cell viability in MALAT1-knockdown cells with 5-FU incubation. The nude mice transplantation model also confirmed the promoted sensitivity of MALAT1-silenced HepG2 cells to 5-FU by blocking tumor cell proliferation and inducing apoptosis. Therefore, our data supplied a potential mechanism by which knockdown of MALAT1 might play an important role in augmenting sensitivity of HepG2 cells to 5-FU in therapeutic approaches, demonstrating suppressing of MALAT1 may serve as a combination with chemotherapeutic agents in liver cancer treatment.

60 APPLIED LIFE SCIENCES↗

HBV polymerase-derived peptide exerts an anti-HIV-1 effect by inhibiting the acetylation of viral integrase

Highlights: • A HBV derived 6-mer peptide, Poly6, can elicit an anti-HIV-1 effect. • The anti-HIV-1 effects of Poly6 is due to the inhibition of viral integration. • Poly6 can lead to downregulation of HIV-1 IN acetylation via p300 suppression. Here, we found that a 6-mer peptide, Poly6, derived from the hepatitis B virus (HBV), which overlaps with a polymerase corresponding to a preS1 deletion reported to contribute to liver disease progression, can elicit an antiviral effect against human immunodeficiency virus (HIV)-1 by inhibiting HIV-1 integrase (IN) activity of infected cells. Mechanistic studies revealed that the anti-HIV-1 effects of Poly6 occurred via the inhibition of integration, which resulted from the inhibition of acetylation of HIV-1 IN possibly by downregulation of p300 histone acetyltransferase. Our data suggest the potential therapeutic use of a 6-mer HBV-derived peptide, Poly6, as an anti-HIV-1 agent to suppress HIV-1 infection via inhibiting integrase activity.

60 APPLIED LIFE SCIENCES↗

Gö6983 attenuates titanium particle-induced osteolysis and RANKL mediated osteoclastogenesis through the suppression of NFκB/JNK/p38 pathways

Highlights: • Gö6983 rescued Ti particle-induced osteolysis in a murine calvarial model. • Gö6983 inhibits osteoclast formation. • Gö 6983 suppresses osteoclast hydroxyapatite resorption and osteoclastic gene expression. • Gö 6983 blocks NF-κB/JNK/P38 signaling pathways of osteoclast. • Gö6983 does not affect osteoblast differentiation and osteoblast-associated gene expression in vitro. Osteoclast activation by wear particles has caused major difficulties for surgeons. Wear particles are the main causes of aseptic prosthetic loosening. Gö6983, a protein kinase C inhibitor, inhibits five subtypes of protein kinase C family members. Here, we found that Gö6983 had an obviously inhibitory effect on wear-particles-induced osteolysis in vivo. In vitro, Gö6983 inhibited RANKL-stimulated osteoclast formation and function by inhibiting the RANKL-stimulated nuclear factor-κB/JNK/p38 signaling pathway. We also observed that Go6983 had no effect on the differentiation of osteoblasts and osteoblast-associated genes expression. According to our data, Gö6983 has potential therapeutic effects for aseptic prosthetic loosening caused by osteoclast activation.

60 APPLIED LIFE SCIENCES↗

Adoption of perennial energy crops in the US Midwest: Causal and heterogeneous determinants

The success of a bioenergy policy relies largely on the wide adoption of perennial energy crops at the farm-scale. This study uses survey data to examine potential adoption decisions by farmers in the US Midwest and the causal effects of various direct and indirect influencing factors, especially heterogeneous preferences of farmers. A Bayesian network (BN) model is developed to delineate the causal-relationship between farmers adoption decisions and the influencing factors. Here, we find a dominating role of economic factors and a non-negligible impact of non-economic factors, such as the perceived environmental benefits and the extent of familiarity with perennial energy crops. To examine the effect of heterogeneity in farmer preferences, we classify the surveyed farmers into four categories based on their attitudes toward the economic, social, and environmental dimensions of perennial energy crops. We identify statistically significant between-group differences in the responses of the four types of farmers to the various influencing factors. Our findings contribute to disentangling the complicated motivations that will influence perennial energy crop adoption decisions and provide implications for more targeted policy development that need to consider the heterogeneous drivers of farmer decisions about land use.

09 BIOMASS FUELS↗

Micrometer: Micromechanics transformer for predicting full field mechanical responses of heterogeneous materials

Predicting mechanical responses of heterogeneous materials across scales remains a significant challenge. Traditional computational methods often struggle with complex and multiscale nature of these materials, limiting their effectiveness in real-world applications. Here, in this paper, we introduce Micrometer, a vision transformer based deep learning model designed to predict full field mechanical responses of heterogeneous materials, bridging the gap between computer vision and solid mechanics problems. We show that Micrometer, trained on a large-scale high-resolution dataset of 2D fiber-reinforced composites, can achieve state-of-the-art performance in predicting microscale strain fields across a wide range of material properties and loading conditions. Our model demonstrates accuracy and computational efficiency in applications such as computational homogenization and multiscale modeling, reducing computational time by up to two orders of magnitude compared to conventional numerical solvers while maintaining less than 1 % errors in predicting macroscale stress fields. Furthermore, we showcase Micrometer’s adaptability through transfer learning experiments on new materials with limited data, highlighting its potential to tackle diverse scenarios in computational solid mechanics. These results represent a significant step towards AI-driven innovation in materials science, addressing the limitations of traditional numerical methods and paving the way for more efficient simulations of heterogeneous materials across various industrial applications.

Composite materials↗

Effective thermal conductivity of insulation materials for cryogenic LH 2 storage tanks: A review

An accurate estimation of the effective thermal conductivity of various insulation materials is essential in the evaluation of heat leak and boil-off rate from liquid hydrogen storage tanks. In this work, we review the existing experimental data and various proposed correlations for predicting the effective conductivity of insulation systems consisting of powders, foams, fibrous materials, and multilayer systems. We also propose a first principles-based correlation that may be used to estimate the dependence of the effective conductivity as a function of temperature, interstitial gas composition, pressure, and structural properties of the material. We validate the proposed correlation using available experimental data for some common insulation materials. Further improvements and testing of the proposed correlation using laboratory scale data obtained using potential LH 2 tank insulation materials are also discussed.

08 HYDROGEN↗

A non-intrusive optical approach to characterize heliostats in utility-scale power tower plants: Flight path generation/optimization of unmanned aerial systems

A newly developed in situ non-intrusive optical (NIO) approach has been developed to survey various types of heliostat optical errors for a concentrating solar power (CSP) tower plant. To measure mirror surface slope error, facet canting error, and heliostat tracking error at a sub-milliradian accuracy, NIO requires several reflection images scanned over each individual heliostat. For a utility-scale plant that typically includes more than 10,000 heliostats, an unmanned aerial system (UAS) is crucial for efficient implementation of the NIO method. Here, we develop a flight path generation/optimization algorithm to plan more efficient UAS paths to collect NIO data over a utility-scale heliostat field. The algorithm considers NIO data requirements, all potential constraints, optimization within each subfield, and operational flexibility. Case studies are presented to illustrate the feasibility and robustness of the developed flight path algorithm. The path planning algorithm may also find applications elsewhere, such as drone-driven imaging under extreme conditions.

14 SOLAR ENERGY↗

Secretory function of ovarian cells and myometrial contractions in cow are affected by chlorinated insecticides (chlordane, heptachlor, mirex) in vitro

The aim of the study was to investigate the effect of chlordane, heptachlor and mirex, on hormonal regulation of the force of myometrial contractions. Myometrial, endometrial, granulosa and luteal cells as well as strips of myometrium from non-pregnant cows were incubated with three insecticides at environmentally relevant doses (0.1, 1 or 10 ng/ml). None of the insecticides affected the viability of studied cells. Chlordane stimulated, while heptachlor and mirex inhibited, secretion of testosterone and estradiol from granulosa cells as well as secretion of progesterone from luteal cells, respectively. Secretion of oxytocin (OT) from granulosa cells was increased after incubation with all studied insecticides. Only mirex stimulated OT secretion from luteal cells, while heptachlor inhibited this effect. None of them affected synthesis of OT in luteal cells and prostaglandins (PGF2 and PGE2) secretion from uterine cells, except PGE2 secretion from endometrial cells was decreased when the cells were incubated with 0.1 ng/ml of chlordane. Basal and OT-stimulated myometrial contractions were increased by mirex and decreased by heptachlor. The data show that the insecticides altered secretory function of ovarian cells. Heptachlor and mirex affected also myometrial contractions in vitro, but uterine secretion of prostaglandins were not involved in the mechanism of that adverse effect of insecticides. The data indicate on potential of these insecticides to disturb fertilisation, blastocyst implantation or even the length of gestation. - Highlights: • The studied insecticides affected steroids and oxytocin secretion from ovaries. • Mirex stimulated bovine myometrial contractions. • Heptachlor inhibited bovine myometrial contractions. • Prostaglandins are not involved in adverse effect of the insecticides on uterine contractions.

60 APPLIED LIFE SCIENCES↗

TIGIT overexpression diminishes the function of CD4 T cells and ameliorates the severity of rheumatoid arthritis in mouse models

Rheumatoid arthritis (RA) is an immune-mediated disease with a pathogenesis that involves CD4 T cell activation. Multiple immune regulatory molecules expressed on CD4{sup +} T cells were involved in RA pathogenesis. In this study, we investigated the role of T cell immunoglobulin and ITIM (immunoreceptor tyrosine-based inhibition motif) domain (TIGIT) in RA. The frequency of TIGIT-positive CD4{sup +} T cells in the synovial fluid (SF) of active RA patients was lower than that of inactive RA patients. And a negative correlation between RA disease activity and TIGIT expression was found. In CD4{sup +} T cells isolated from SF of active RA patients, TIGIT upregulation significantly decreased cell proliferation, as shown by MTT assay. TIGIT overexpression also significantly decreased the production of IFN-γ and IL-17, and increased that of IL-10, as determined by ELISA and qRT-PCR. In CD4{sup +} T cells isolated from SF of inactive RA patients, TIGIT was silenced by siRNA transfection. As expected, TIGIT knockdown resulted in an opposite effect on cell proliferation and the production of cytokines, including IFN-γ, IL-17 and IL-10. A RA mouse model was established using type II collagen induction. TIGIT was upregulated in RA mouse by lentivector infection. As expected, TIGIT overexpression in vivo significantly alleviated the disease severity and deceased the levels of anti-collagen II antibodies. TIGIT upregulation in the early stage was more effective to alleviate disease severity. Our data suggested the potential therapeutic role of TIGIT in RA patients. - Highlights: • TIGIT expression on SF CD4{sup +} T cells was decreased in active RA patients. • TIGIT overexpression diminished the function of CD4{sup +} T cells. • TIGIT-siRNA transfection promotes the function of CD4{sup +} T cells. • Mice with TIGIT overexpression were resistant to collagen induced RA.

60 APPLIED LIFE SCIENCES↗

Leptin up-regulates microRNA-27a/b-3p level in hepatic stellate cells

Highlights: • Leptin up-regulates miR-27a/b-3p levels in hepatic stellate cells (HSCs). • Multiple signaling pathways mediate the effect of leptin on miR-27a/b-3p. • miR-27a/b-3p reduce SREBP1c and LXRα levels, and inhibit HSC activation. • miR-27a/b-3p involved in leptin-associated liver fibrosis. Obese patients, often accompanied by hyperleptinemia, are prone to liver fibrogenesis. Leptin is an adipocyte-derived hormone and plays a promotion role in liver fibrosis. Sterol regulatory element binding protein-1c (SREBP1c) exerts a crucial role in inhibiting hepatic stellate cell (HSC) activation, a key step in liver fibrogenesis. Our previous studies indicated that leptin inhibited SREBP1c expression, contributing to leptin-induced HSC activation and liver fibrosis. microRNAs (miR) have emerged as important layers of regulatory control and regulate gene expression, and are implicated in numerous diseases. The present study revealed leptin up-regulation of miR-27a/b-3p levels in HSCs in vitro and in vivo. Three signaling pathways were required for leptin regulation of miR-27a/b-3p levels. miR-27a/b-3p could reduce SREBP1c and liver x receptor α (LXRα) levels, increased α-smooth muscle actin (α-SMA, a marker for HSC activation) and α1(I)collagen levels in cultured HSCs. miR-27a/b-3p regulation of SREBP1c and LXRα were independent of 3′-untranslated region of SREBP1c and LXRα mRNA. In vivo experiments further demonstrated the miR-27a/b-3p involved in leptin-associated decrease in SREBP1 level in HSCs, HSC activation, and liver fibrosis. These data might have potential implications for our understanding of molecular mechanisms underlying leptin roles in liver fibrogenesis of obese patients with hyperleptinaemia.

60 APPLIED LIFE SCIENCES↗