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https://www.readbyqxmd.com/read/29553738/multicomponent-time-dependent-density-functional-theory-proton-and-electron-excitation-energies
#1
Yang Yang, Tanner Culpitt, Sharon Hammes-Schiffer
The quantum mechanical treatment of both electrons and protons in the calculation of excited state properties is critical for describing nonadiabatic processes such as photoinduced proton-coupled electron transfer. Multicomponent density functional theory enables the consistent quantum mechanical treatment of more than one type of particle and has been implemented previously for studying ground state molecular properties within the nuclear-electronic orbital (NEO) framework, where all electrons and specified protons are treated quantum mechanically...
March 19, 2018: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/29549236/living-donor-liver-transplantation-for-wilson-s-disease-associated-with-fulminant-hepatic-failure-a-case-report
#2
Yu Huang, Mitsuhisa Takatsuki, Akihiko Soyama, Masaaki Hidaka, Shinichiro Ono, Tomohiko Adachi, Takanobu Hara, Satomi Okada, Takashi Hamada, Susumu Eguchi
BACKGROUND Liver transplantation is indicated for patients with Wilson's disease (WD) who present either with acute liver failure or with end-stage liver disease and severe hepatic insufficiency as the first sign of disease. However, almost all reported cases have been treated with death donor liver transplantation. Here we report the case of a patient with WD associated with fulminant hepatic failure (WD-FHF) who underwent living donor liver transplantation (LDLT). CASE REPORT A 17-year-old female was diagnosed with WD-FHF based on high uric copper (10 603 μg/day, normal <100 μg/day), low serum ceruloplasmin (15 mg/dL, normal >20 mg/dL) and Kayser-Fleischer (K-F) corneal ring, and acute liver failure (ALF), acute renal failure (ARF) and grade 2 hepatic encephalopathy (HE)...
March 17, 2018: American Journal of Case Reports
https://www.readbyqxmd.com/read/29521104/association-of-toll-like-receptor-4-with-hepatitis-a-virus-infection-in-assam
#3
P Kashyap, M Deka, S Medhi, S Dutta, K Kashyap, N Kumari
Hepatitis A virus (HAV) which causes liver disease is recognized by Toll-like receptors (TLRs) through the viral nucleic acid, initiating the host defense response. The study aims to analyze the role of TLR4 rs11536889 polymorphism in the pathogenesis of hepatitis A cases from Assam. There was significant correlation between TLR4 SNP G/C (rs11536889) and between acute viral hepatitis (AVH) A cases and controls. The correlation of the 3 different genotypes GG, GC and CC of TLR4 rs11536889 with the TLR4 mRNA expression level in all the HAV cases groups have been found to be statistically significant (p <0...
2018: Acta Virologica
https://www.readbyqxmd.com/read/29382818/tbx5a-lineage-tracing-shows-cardiomyocyte-plasticity-during-zebrafish-heart-regeneration
#4
Héctor Sánchez-Iranzo, María Galardi-Castilla, Carolina Minguillón, Andrés Sanz-Morejón, Juan Manuel González-Rosa, Anastasia Felker, Alexander Ernst, Gabriela Guzmán-Martínez, Christian Mosimann, Nadia Mercader
During development, mesodermal progenitors from the first heart field (FHF) form a primitive cardiac tube, to which progenitors from the second heart field (SHF) are added. The contribution of FHF and SHF progenitors to the adult zebrafish heart has not been studied to date. Here we find, using genetic tbx5a lineage tracing tools, that the ventricular myocardium in the adult zebrafish is mainly derived from tbx5a+ cells, with a small contribution from tbx5a- SHF progenitors. Notably, ablation of ventricular tbx5a+ -derived cardiomyocytes in the embryo is compensated by expansion of SHF-derived cells...
January 30, 2018: Nature Communications
https://www.readbyqxmd.com/read/29367466/mutations-in-hnrnpa1-cause-congenital-heart-defects
#5
Zhe Yu, Paul Lf Tang, Jing Wang, Suying Bao, Joseph T Shieh, Alan Wl Leung, Zhao Zhang, Fei Gao, Sandra Yy Wong, Andy Lc Hui, Yuan Gao, Nelson Dung, Zhi-Gang Zhang, Yanhui Fan, Xueya Zhou, Yalun Zhang, Dana Sm Wong, Pak C Sham, Abid Azhar, Pui-Yan Kwok, Patrick Pl Tam, Qizhou Lian, Kathryn Se Cheah, Binbin Wang, You-Qiang Song
Incomplete penetrance of congenital heart defects (CHDs) was observed in a mouse model. We hypothesized that the contribution of a major genetic locus modulates the manifestation of the CHDs. After genome-wide linkage mapping, fine mapping, and high-throughput targeted sequencing, a recessive frameshift mutation of the heterogeneous nuclear ribonucleoprotein A1 (Hnrnpa1) gene was confirmed (Hnrnpa1ct). Hnrnpa1 was expressed in both the first heart field (FHF) and second heart field (SHF) at the cardiac crescent stage but was only maintained in SHF progenitors after heart tube formation...
January 25, 2018: JCI Insight
https://www.readbyqxmd.com/read/29361575/nkx-genes-establish-second-heart-field-cardiomyocyte-progenitors-at-the-arterial-pole-and-pattern-the-venous-pole-through-isl1-repression
#6
Sophie Colombo, Carmen de Sena-Tomás, Vanessa George, Andreas A Werdich, Sunil Kapur, Calum A MacRae, Kimara L Targoff
NKX2-5 is the most commonly mutated gene associated with human congenital heart defects (CHDs), with a predilection for cardiac pole abnormalities. This homeodomain transcription factor is a central regulator of cardiac development and is expressed in both the first and second heart fields (FHF and SHF). We have previously revealed essential functions of nkx2.5 and nkx2.7 , two Nkx2-5 homologs expressed in zebrafish cardiomyocytes, in maintaining ventricular identity. However, the differential roles of these genes in the specific subpopulations of the anterior (aSHF) and posterior (pSHF) SHFs have yet to be fully defined...
February 5, 2018: Development
https://www.readbyqxmd.com/read/29357415/interfering-rna-against-pkc-%C3%AE-inhibits-tnf-%C3%AE-induced-ip3r1-expression-and-improves-glomerular-filtration-rate-in-rats-with-fulminant-hepatic-failure
#7
Dong-Lei Wang, Wen-Ying Dai, Wen Wang, Ying Wen, Ying Zhou, Yi-Tong Zhao, Jian Wu, Pei Liu
BACKGROUND & AIMS: We have reported that tumor necrosis factor- (TNF-α) is critical for reduction of glomerular filtration rate (GFR) in rats with fulminant hepatic failure (FHF). The present study aims to evaluate the underlying mechanisms of decreased GFR during acute hepatic failure. METHODS: Rats with FHF induced by D-galactosamine plus lipopolysaccharide (GalN/LPS) were injected intravenously with recombinant lentivirus harboring shRNA against the protein kinase C-α (PKC-α) gene (Lenti-shRNA-PKC-α)...
January 10, 2018: American Journal of Physiology. Renal Physiology
https://www.readbyqxmd.com/read/29202929/live-imaging-of-heart-tube-development-in-mouse-reveals-alternating-phases-of-cardiac-differentiation-and-morphogenesis
#8
Kenzo Ivanovitch, Susana Temiño, Miguel Torres
During vertebrate heart development, two progenitor populations, first and second heart fields (FHF, SHF), sequentially contribute to longitudinal subdivisions of the heart tube (HT), with the FHF contributing the left ventricle and part of the atria, and the SHF the rest of the heart. Here, we study the dynamics of cardiac differentiation and morphogenesis by tracking individual cells in live analysis of mouse embryos. We report that during an initial phase, FHF precursors differentiate rapidly to form a cardiac crescent, while limited morphogenesis takes place...
December 5, 2017: ELife
https://www.readbyqxmd.com/read/29178803/nmr-chemical-shift-of-a-helium-atom-as-a-probe-for-electronic-structure-of-fh-f-fhf-and-fh-2
#9
E Yu Tupikina, A A Efimova, G S Denisov, P M Tolstoy
In this work, we present the first results of outer electronic shell visualization by using a3 He atom as a probe particle. As model objects we have chosen F- , FH, and FH2 + species, as well as the hydrogen-bonded complex FH···F- at various H···F- distances (3.0, 2.5, 2.0, and 1.5 Å and equilibrium at ca. 1.14 Å). The interaction energy of investigated objects with helium atom (CCSD/aug-cc-pVTZ) and helium atom chemical shift (B3LYP/pcS-2) surfaces were calculated, and their topological analysis was performed...
December 21, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/29135037/analytical-hessian-fitting-schemes-for-efficient-determination-of-force-constant-parameters-in-molecular-mechanics
#10
Ruixing Wang, Mikhail Ozhgibesov, Hajime Hirao
Building upon our recently developed partial Hessian fitting (PHF) method (Wang et al., J. Comput. Chem. 2016, 37, 2349), we formulated and implemented two other rapid force-field parameterization schemes called full Hessian fitting (FHF) and internal Hessian fitting (IHF), and comparisons were made among these three parameterization schemes to assess their performance. FHF minimizes deviation between the Hessian matrices in Cartesian coordinates computed by quantum mechanics (QM) and molecular mechanics (MM), to determine the best possible MM force-constant parameters...
March 5, 2018: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/29064495/bifluoride-catalysed-sulfur-vi-fluoride-exchange-reaction-for-the-synthesis-of-polysulfates-and-polysulfonates
#11
Bing Gao, Linda Zhang, Qinheng Zheng, Feng Zhou, Liana M Klivansky, Jianmei Lu, Yi Liu, Jiajia Dong, Peng Wu, K Barry Sharpless
Polysulfates and polysulfonates possess exceptional mechanical properties making them potentially valuable engineering polymers. However, they have been little explored due to a lack of reliable synthetic access. Here we report bifluoride salts (Q(+)[FHF](-), where Q(+) represents a wide range of cations) as powerful catalysts for the sulfur(VI) fluoride exchange (SuFEx) reaction between aryl silyl ethers and aryl fluorosulfates (or alkyl sulfonyl fluorides). The bifluoride salts are significantly more active in catalysing the SuFEx reaction compared to organosuperbases, therefore enabling much lower catalyst-loading (down to 0...
November 2017: Nature Chemistry
https://www.readbyqxmd.com/read/29057809/hepatoprotective-effects-of-kaempferol-3-o-%C3%AE-l-arabinopyranosyl-7-o-%C3%AE-l-rhamnopyranoside-on-d-galactosamine-and-lipopolysaccharide-caused-hepatic-failure-in-mice
#12
Lin Dong, Lei Yin, Hongfeng Quan, Yuankui Chu, Jincai Lu
Fulminant hepatic failure (FHF), associated with high mortality, is characterized by extensive death of hepatocytes and hepatic dysfunction. There is no effective treatment for FHF. Several studies have indicated that flavonoids can protect the liver from different factor-induced injury. Previously, we found that the extracts of Elaeagnus mollis leaves had favorable protective effects on acute liver injury. However, the role and mechanisms behind that was elusive. This study examined the hepatoprotective mechanisms of kaempferol-3-O-α-l-arabinopyranosyl-7-O-α-l-rhamnopyra-noside (KAR), a major flavonol glycoside of E...
October 18, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/29027045/characteristics-of-patients-with-fragility-hip-fractures-in-the-northern-kyushu-district-in-japan-a-multicenter-prospective-registry-based-on-an-electronic-data-capture-system
#13
Akiko Oyamada, Yoshihiro Matsumoto, Yoshifumi Wakata, Atsushi Kimura, Ko Ikuta, Kuniyoshi Tsuchiya, Naohisa Tayama, Shinji Tomari, Hisaaki Miyahara, Takao Mae, Hirokazu Shiraishi, Taichi Saito, Takeshi Arizono, Kozo Kaji, Taro Mawatari, Masami Fujiwara, Riku Sakimura, Kunichika Shin, Kenichi Ninomiya, Kazutoshi Nakaie, Yasuaki Antoku, Shoji Tokunaga, Naoki Nakashima, Yukihide Iwamoto, Yasuharu Nakashima
Osteoporosis has become a worldwide public health problem, in part due to the fact that it increases the risk of fragility hip fractures (FHFs). The epidemiological assessment of FHFs is critical for their prevention; however, datasets for FHFs in Japan remain scarce. This was a multicenter, prospective, observational study in the northern district of Kyushu Island. Inclusion criteria were age > 60 years with a diagnosis of FHF and acquisition of clinical data by an electronic data capture system. Of 1294 registered patients, 1146 enrolled in the study...
October 12, 2017: Journal of Bone and Mineral Metabolism
https://www.readbyqxmd.com/read/28953903/interleukin-1%C3%AE-and-interleukin-1%C3%AE-play-a-central-role-in-the-pathogenesis-of-fulminant-hepatic-failure-in-mice
#14
Maya Sultan, Ziv Ben-Ari, Rula Masoud, Orit Pappo, Dror Harats, Yehuda Kamari, Michal Safran
BACKGROUND AND AIMS: Fulminant hepatitis failure (FHF) is marked by the sudden loss of hepatic function, with a severe life-threatening course in persons with no prior history of liver disease. Interleukin (IL)-1α and IL-1β are key inflammatory cytokines but little is known about their role in the development of FHF. The aim of this study was to assess the involvement of IL-1α and IL-1β in the progression of LPS/GalN-induced FHF. METHODS: WT, IL-1α or IL-1β deficient mice were injected with LPS/GalN...
2017: PloS One
https://www.readbyqxmd.com/read/28929144/symmetry-and-dynamics-of-fhf-anion-in-vacuum-in-cd-2-cl-2-and-in-ccl-4-ab-initio-md-study-of-fluctuating-solvent-solute-hydrogen-and-halogen-bonds
#15
S A Pylaeva, H Elgabarty, D Sebastiani, P M Tolstoy
FHF- anion is a classic example of a central-symmetric strongly hydrogen bonded system that has been intensively investigated both experimentally and theoretically. In this paper we focus on solvent effects on symmetry, structure and dynamics of the anion. The FHF- anion is studied in vacuum, dissolved in CH2 Cl2 and dissolved in CCl4 by ab initio molecular dynamics simulations. We show that CH2 Cl2 molecules form CHF hydrogen bonds with lone pairs of fluorine atoms, while CCl4 molecules form halogen bonds...
October 4, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28758404/lycopene-prevents-mitochondrial-dysfunction-during-d-galactosamine-lipopolysaccharide-induced-fulminant-hepatic-failure-in-albino-rats
#16
Sheik Abdulazeez Sheriff, Shaikhussain Shaik Ibrahim, Thiruvengadam Devaki, Sandipan Chakraborty, Subhash Agarwal, Horacio Pérez-Sánchez
Functional perturbation of mitochondria is associated with fulminant hepatic failure (FHF). d-Galactosamine/lipopolysaccharide (d-GalN/LPS)-induced FHF is a renowned model to evaluate the efficacy of hepatoprotective agents. Lycopene is an antioxidant and phytonutrient from the carotenoid family. The health benefits of lycopene are prominent against cancer and cardiovascular, lung, liver, and skin problems. Recent studies have demonstrated the hepatoprotective, antidyslipidemic, and antioxidant roles of lycopene...
August 21, 2017: Journal of Proteome Research
https://www.readbyqxmd.com/read/28752362/necrostatin-1-protects-against-d-galactosamine-and-lipopolysaccharide-induced-hepatic-injury-by-preventing-tlr4-and-rage-signaling
#17
Seok-Joo Kim, Sun-Mee Lee
Fulminant hepatic failure (FHF) is a life-threatening clinical syndrome results in massive inflammation and hepatocyte death. Necroptosis is a regulated form of necrotic cell death that is emerging as a crucial control point for inflammatory diseases. The kinases receptor interacting protein (RIP) 1 and RIP3 are known as key modulators of necroptosis. In this study, we investigated the impact of necroptosis in the pathogenesis of FHF and molecular mechanisms, particularly its linkage to damage-associated molecular pattern (DAMP)-mediated pattern recognition receptor (PRR) signaling pathways...
December 2017: Inflammation
https://www.readbyqxmd.com/read/28746435/cerebral-hemodynamic-and-metabolic-changes-in-fulminant-hepatic-failure
#18
REVIEW
Fernando Mendes Paschoal, Ricardo de Carvalho Nogueira, Marcelo de Lima Oliveira, Eric Homero Albuquerque Paschoal, Manoel Jacobsen Teixeira, Luiz Augusto Carneiro D'Albuquerque, Edson Bor-Seng-Shu
Intracranial hypertension and brain swelling are a major cause of morbidity and mortality of patients suffering from fulminant hepatic failure (FHF). The pathogenesis of these complications has been investigated in man, in experimental models and in isolated cell systems. Currently, the mechanism underlying cerebral edema and intracranial hypertension in the presence of FHF is multi-factorial in etiology and only partially understood. The aim of this paper is to review the pathophysiology of cerebral hemodynamic and metabolism changes in FHF in order to improve understanding of intracranial dynamics complication in FHF...
July 2017: Arquivos de Neuro-psiquiatria
https://www.readbyqxmd.com/read/28736552/asiatic-acid-exhibits-anti-inflammatory-and-antioxidant-activities-against-lipopolysaccharide-and-d-galactosamine-induced-fulminant-hepatic-failure
#19
Hongming Lv, Zhimin Qi, Sisi Wang, Haihua Feng, Xuming Deng, Xinxin Ci
Inflammation and oxidative stress are essential for the pathogenesis of fulminant hepatic failure (FHF). Asiatic acid (AA), which is a pentacyclic triterpene that widely occurs in various vegetables and fruits, has been reported to possess antioxidant and anti-inflammatory properties. In this study, we investigated the protective effects of AA against lipopolysaccharide (LPS) and d-galactosamine (GalN)-induced FHF and the underlying molecular mechanisms. Our findings suggested that AA treatment effectively protected against LPS/d-GalN-induced FHF by lessening the lethality; decreasing the alanine transaminase and aspartate aminotransferase levels, interleukin (IL)-1β, IL-6, and tumor necrosis factor-α production, malondialdehyde formation, myeloperoxidase level and reactive oxygen species generation (i...
2017: Frontiers in Immunology
https://www.readbyqxmd.com/read/28689774/expression-of-il-1ra-il-6-il-8-il-18-tnf-%C3%AE-and-ifn-%C3%AE-genes-in-peripheral-blood-leukocytes-of-rabbits-infected-with-rhdv-rabbit-haemorrhagic-disease-virus
#20
Alicja Trzeciak-Ryczek, Beata Tokarz-Deptuła, Wiesław Deptuła
Rabbit haemorrhagic disease virus (RHDV) induces a highly contagious and extremely lethal disease that fulfils many requirements of an animal model of fulminant hepatic failure (FHF); however, the pathogenesis of RHD has still not been fully elucidated. Cytokines play an important role in regulation of the immune response and pathogenesis of many diseases, including those caused by viral infections. Furthermore, recent studies indicate a role of the immune response, especially peripheral blood leukocytes (PBL), in the pathogenesis of RHD...
July 8, 2017: Developmental and Comparative Immunology
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