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https://www.readbyqxmd.com/read/28800231/accurate-modeling-of-water-clusters-with-density-functional-theory-using-atom-centered-potentials
#1
Jake D Holmes, Alberto Otero-de-la-Roza, Gino A DiLabio
The ability of atom-centered potential (ACPs) to improve the modeling of water clusters using density-functional methods is explored. Water-specific ACPs were developed using accurate ab initio reference data to correct the deficiencies of the BHandHLYP density functional in the calculation of absolute and relative binding energies of water clusters. In conjunction with aug-cc-pVTZ basis sets and with or without dispersion corrections, it is possible to obtain absolute binding energies for water clusters containing up to 10 H2O molecules to within 0...
August 11, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28798690/risk-of-myopathy-in-patients-in-therapy-with-statins-identification-of-biological-markers-in-a-pilot-study
#2
Giulia M Camerino, Olimpia Musumeci, Elena Conte, Kejla Musaraj, Adriano Fonzino, Emanuele Barca, Marco Marino, Carmelo Rodolico, Domenico Tricarico, Claudia Camerino, Maria R Carratù, Jean-François Desaphy, Annamaria De Luca, Antonio Toscano, Sabata Pierno
Statin therapy may induce skeletal muscle damage ranging from myalgia to severe rhabdomyolysis. Our previous preclinical studies showed that statin treatment in rats involves the reduction of skeletal muscle ClC-1 chloride channel expression and related chloride conductance (gCl). An increase of the activity of protein kinase C theta (PKC theta) isoform, able to inactivate ClC-1, may contribute to destabilize sarcolemma excitability. These effects can be detrimental for muscle function leading to drug-induced myopathy...
2017: Frontiers in Pharmacology
https://www.readbyqxmd.com/read/28793231/association-of-mitochondrial-dna-10398-a-g-polymorphism-with-attention-deficit-and-hyperactivity-disorder-in-korean-children
#3
In Wook Hwang, Jun Ho Hong, Bit Na Kwon, Hyung Jun Kim, Nu Ri Lee, Myung Ho Lim, Ho Jang Kwon, Han Jun Jin
Mitochondria are subcellular organelles that contribute to aerobic ATP generation by oxidative phosphorylation (OXPHOS). Previous studies reported that mitochondrial dysfunction and deficiency caused by mitochondrial DNA polymorphisms is associated with various diseases. Especially, mitochondrial DNA 10398 A/G polymorphism is known to affect the regulation of mitochondrial calcium levels related to energy production, and its association with psychiatric disorders such as schizophrenia and bipolar disorder has been reported...
August 6, 2017: Gene
https://www.readbyqxmd.com/read/28792202/wide-band-gap-and-highly-conjugated-copolymers-incorporating-2-triisopropylsilylethynyl-thiophene-substituted-benzodithiophene-for-efficient-non-fullerene-organic-solar-cells
#4
Lixin Wang, Haifen Liu, Zhaoxiang Huai, Shaopeng Yang
Recent years have seen a rapid progress in the power conversion efficiencies (PCEs) of non-fullerene polymer solar cells (NF PSCs). However, the donor materials accordingly used are typical low or medium band gap polymers, some of which possess badly overlapped absorption spectra relative to the low band gap n-type acceptors, for example, 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)indanone)-5,5,11,11-tetrakis(4-hexylphenyl)dithieno[2,3-d:2',3'-d']-s-indaceno[1,2-b:5,6-b']dithiophene) (ITIC). To obtain polymers simultaneously owning a wide band gap, a highly extended π-conjugation system, and a low-lying highest occupied molecular orbital (HOMO), a polymer (PBDTSi-TA) incorporating 2-(triisopropylsilylethynyl)thiophene substituted benzodithiophene (BDTSi) and fluorinated benzotriazole (FTAZ) units was designed and synthesized...
August 17, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28775097/platelet-derived-growth-factor-receptor-alpha-pdgfr%C3%AE-and-ras-related-c3-botulinum-toxin-substrate-1-rac1-regulate-mechano-responsiveness-of-lung-fibroblasts
#5
Stephen E McGowan, Diann M McCoy
Platelet-derived growth factor (PDGF)-A, which only signals through PDGF-receptor-alpha (PDGFRα) is required for secondary alveolar septal formation. Although PDGFRα distinguishes mesenchymal progenitor cells during the saccular stage, PDGFRα-expressing alveolar cells persist through adulthood. PDGF-A sustains proliferation, limits apoptosis, and maintains alpha-smooth muscle actin (αSMA) containing alveolar cells, which congregate at the alveolar entry ring at postnatal day (P)12. PDGFRα-expressing, αSMA-containing, alveolar cells re-distribute in the elongating septum, suggesting that they migrate to the alveolar entry rings where mechanical tension is higher...
August 3, 2017: American Journal of Physiology. Lung Cellular and Molecular Physiology
https://www.readbyqxmd.com/read/28768657/energy-homeostasis-in-apolipoprotein-aiv-and-cholecystokinin-deficient-mice
#6
Jonathan Weng, Danwen Lou, Stephen C Benoit, Natalie Coschigano, Stephen C Woods, Patrick Tso, Chunmin C Lo
Apolipoprotein AIV (ApoAIV) and cholecystokinin (CCK) are well-known satiating signals that are stimulated by fat consumption. Peripheral ApoAIV and CCK interact to prolong satiating signals. In the present study, we hypothesized that ApoAIV and CCK control energy homeostasis in response to high-fat diet feeding. To test this hypothesis, energy homeostasis in ApoAIV and CCK double knockout (ApoAIV/CCK-KO), ApoAIV knockout (ApoAIV-KO), and CCK knockout (CCK-KO) mice were monitored. When animals were maintained on a low-fat diet, ApoAIV/CCK-KO, ApoAIV-KO, and CCK-KO mice had comparable energy intake and expenditure, body weight, fat mass, fat absorption, and plasma parameters relative to the controls...
August 2, 2017: American Journal of Physiology. Regulatory, Integrative and Comparative Physiology
https://www.readbyqxmd.com/read/28754711/10-oxo-12-z-octadecenoic-acid-a-linoleic-acid-metabolite-produced-by-gut-lactic-acid-bacteria-enhances-energy-metabolism-by-activation-of-trpv1
#7
Minji Kim, Tomoya Furuzono, Kanae Yamakuni, Yongjia Li, Young-Il Kim, Haruya Takahashi, Ryuji Ohue-Kitano, Huei-Fen Jheng, Nobuyuki Takahashi, Yuriko Kano, Rina Yu, Shigenobu Kishino, Jun Ogawa, Kunitoshi Uchida, Jun Yamazaki, Makoto Tominaga, Teruo Kawada, Tsuyoshi Goto
Gut microbiota can regulate the host energy metabolism; however, the underlying mechanisms that could involve gut microbiota-derived compounds remain to be understood. Therefore, in this study, we investigated the effects of KetoA [10-oxo-12(Z)-octadecenoic acid]-a linoleic acid metabolite produced by gut lactic acid bacteria-on whole-body energy metabolism and found that dietary intake of KetoA could enhance energy expenditure in mice, thereby protecting mice from diet-induced obesity. By using Ca(2+) imaging and whole-cell patch-clamp methods, KetoA was noted to potently activate transient receptor potential vanilloid 1 (TRPV1) and enhance noradrenalin turnover in adipose tissues...
July 28, 2017: FASEB Journal: Official Publication of the Federation of American Societies for Experimental Biology
https://www.readbyqxmd.com/read/28748891/study-of-chronic-kidney-disease-mineral-bone-disorders-in-newly-detected-advanced-renal-failure-patients-a-hospital-based-cross-sectional-study
#8
Praveen Kumar Etta, R K Sharma, Amit Gupta
We aim to evaluate the disturbances in mineral metabolism, abnormalities in bone mineral density (BMD), and extraskeletal calcification in newly detected, untreated predialysis stage 4 and 5 chronic kidney disease (CKD) patients at a tertiary care hospital in North India. This is cross-sectional observational study. A total of 95 (68 males, 27 females) newly detected patients underwent clinical evaluation, biochemical assessment [serum calcium, phosphorus, alkaline phosphatase (ALP), albumin, creatinine, intact parathyroid hormone (iPTH), 25- hydroxyvitamin D (25(OH)D)], BMD measurement (at spine, hip, and forearm) by dual-energy X-ray absorptiometry (DXA), lateral abdominal radiograph [for abdominal aortic calcification (AAC)], skeletal survey (to look for any abnormality including fractures), and echocardiography [for any cardiac valvular calcification (CVC)]...
July 2017: Saudi Journal of Kidney Diseases and Transplantation
https://www.readbyqxmd.com/read/28745464/elite-athletes-and-pubertal-delay
#9
Karina Kapczuk
Intensive physical training and participation in competitive sports during childhood and early adolescence may affect athletes' pubertal development. On the other hand, pubertal timing, early or late, may impact on an athlete selection for a particular sport. Genetic predisposition, training load, nutritional status and psychological stress determine athletes' pubertal timing. Athletes that practice esthetic sports, especially gymnasts, are predisposed to a delay in pubertal development. The growing evidence indicates that energy deficiency, not a systemic training per se, plays a crucial role in the pathogenesis of functional hypothalamic hypogonadism in female athletes...
October 2017: Minerva Pediatrica
https://www.readbyqxmd.com/read/28740257/non-destructive-detection-of-cross-sectional-strain-and-defect-structure-in-an-individual-ag-five-fold-twinned-nanowire-by-3d-electron-diffraction-mapping
#10
Xin Fu, Jun Yuan
Coherent x-ray diffraction investigations on Ag five-fold twinned nanowires (FTNWs) have drawn controversial conclusions concerning whether the intrinsic 7.35° angular gap could be compensated homogeneously through phase transformation or inhomogeneously by forming disclination strain field. In those studies, the x-ray techniques only provided an ensemble average of the structural information from all the Ag nanowires. Here, using three-dimensional (3D) electron diffraction mapping approach, we non-destructively explore the cross-sectional strain and the related strain-relief defect structures of an individual Ag FTNW with diameter about 30 nm...
July 24, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28739551/the-description-of-a-new-case-with-proopiomelanocortin-pomc-deficiency-an-increasingly-important-diagnosis-to-make
#11
Semra Çetinkaya, Tülay Güran, Erdal Kurnaz, Melikşah Keskin, Elif Sağsak, Senay Savaş Erdeve, Jenifer P Suntharalingham, Federica Buonocore, John Achermann, Zehra Aycan
International surveillance data suggests a worldwide epidemic of pediatric obesity regardless of geographic, socioeconomic, racial and ethnic factors. Reversing this epidemic of pediatric obesity will require recognition and understanding of the pathophysiology of the condition to enable us to develop novel therapies as well as taking measures to shift social attitudes and public policies at a global level. Proopiomelanocortin (POMC) deficiency is a rare monogenic disorder of early-onset obesity, which has increased our insight into the important role of the leptin-melanocortin pathway in energy balance...
July 24, 2017: Journal of Clinical Research in Pediatric Endocrinology
https://www.readbyqxmd.com/read/28737524/female-athlete-triad
#12
Meredith B Loveless
PURPOSE OF REVIEW: The obstetrician/gynecologist (ob/gyn) may be the first provider to have the opportunity to recognize and diagnose female athlete triad. This review will help the ob/gyn to understand the female athlete triad and what is new on this topic, how to screen and diagnose the condition and the ob/gyn's role in treatment. RECENT FINDINGS: Female athlete triad, also known as relative energy deficiency in sports, involves an interrelationship among energy availability, menstrual function and low bone density...
July 21, 2017: Current Opinion in Obstetrics & Gynecology
https://www.readbyqxmd.com/read/28736507/national-mortality-burden-due-to-communicable-non-communicable-and-other-diseases-in-ethiopia-1990-2015-findings-from-the-global-burden-of-disease-study-2015
#13
Awoke Misganaw, Tilahun N Haregu, Kebede Deribe, Gizachew Assefa Tessema, Amare Deribew, Yohannes Adama Melaku, Azmeraw T Amare, Semaw Ferede Abera, Molla Gedefaw, Muluken Dessalegn, Yihunie Lakew, Tolesa Bekele, Mesoud Mohammed, Biruck Desalegn Yirsaw, Solomon Abrha Damtew, Kristopher J Krohn, Tom Achoki, Jed Blore, Yibeltal Assefa, Mohsen Naghavi
BACKGROUND: Ethiopia lacks a complete vital registration system that would assist in measuring disease burden and risk factors. We used the Global Burden of Diseases, Injuries, and Risk Factors Study 2015 (GBD 2015) estimates to describe the mortality burden from communicable, non-communicable, and other diseases in Ethiopia over the last 25 years. METHODS: GBD 2015 mainly used cause of death ensemble modeling to measure causes of death by age, sex, and year for 195 countries...
2017: Population Health Metrics
https://www.readbyqxmd.com/read/28736506/national-disability-adjusted-life-years-dalys-for-257-diseases-and-injuries-in-ethiopia-1990-2015-findings-from-the-global-burden-of-disease-study-2015
#14
Awoke Misganaw, Yohannes Adama Melaku, Gizachew Assefa Tessema, Amare Deribew, Kebede Deribe, Semaw Ferede Abera, Muluken Dessalegn, Yihunie Lakew, Tolesa Bekele, Tilahun N Haregu, Azmeraw T Amare, Molla Gedefaw, Mesoud Mohammed, Biruck Desalegn Yirsaw, Solomon Abrha Damtew, Tom Achoki, Jed Blore, Kristopher J Krohn, Yibeltal Assefa, Mahlet Kifle, Mohsen Naghavi
BACKGROUND: Disability-adjusted life years (DALYs) provide a summary measure of health and can be a critical input to guide health systems, investments, and priority-setting in Ethiopia. We aimed to determine the leading causes of premature mortality and disability using DALYs and describe the relative burden of disease and injuries in Ethiopia. METHODS: We used results from the Global Burden of Diseases, Injuries, and Risk Factors Study 2015 (GBD 2015) for non-fatal disease burden, cause-specific mortality, and all-cause mortality to derive age-standardized DALYs by sex for Ethiopia for each year...
2017: Population Health Metrics
https://www.readbyqxmd.com/read/28732770/pharmacologic-modeling-of-primary-mitochondrial-respiratory-chain-dysfunction-in-zebrafish
#15
James Byrnes, Rebecca Ganetzky, Richard Lightfoot, Michael Tzeng, Eiko Nakamaru-Ogiso, Christoph Seiler, Marni J Falk
Mitochondrial respiratory chain (RC) disease is a heterogeneous and highly morbid group of energy deficiency disorders for which no proven effective therapies exist. Robust vertebrate animal models of primary RC dysfunction are needed to explore the effects of variation in RC disease subtypes, tissue-specific manifestations, and major pathogenic factors contributing to each disorder, as well as their pre-clinical response to therapeutic candidates. We have developed a series of zebrafish (Danio rerio) models that inhibit, to variable degrees, distinct aspects of RC function, and enable quantification of animal development, survival, behaviors, and organ-level treatment effects on function as well as mitochondrial biochemistry and physiology...
July 18, 2017: Neurochemistry International
https://www.readbyqxmd.com/read/28732542/national-disability-adjusted-life-years-dalys-for-257-diseases-and-injuries-in-ethiopia-1990-2015-findings-from-the-global-burden-of-disease-study-2015
#16
Awoke Misganaw, Yohannes Adama Melaku, Gizachew Assefa Tessema, Amare Deribew, Kebede Deribe, Semaw Ferede Abera, Muluken Dessalegn, Yihunie Lakew, Tolesa Bekele, Tilahun N Haregu, Azmeraw T Amare, Molla Gedefaw, Mesoud Mohammed, Biruck Desalegn Yirsaw, Solomon Abrha Damtew, Tom Achoki, Jed Blore, Kristopher J Krohn, Yibeltal Assefa, Mahlet Kifle, Mohsen Naghavi
BACKGROUND: Disability-adjusted life years (DALYs) provide a summary measure of health and can be a critical input to guide health systems, investments, and priority-setting in Ethiopia. We aimed to determine the leading causes of premature mortality and disability using DALYs and describe the relative burden of disease and injuries in Ethiopia. METHODS: We used results from the Global Burden of Diseases, Injuries, and Risk Factors Study 2015 (GBD 2015) for non-fatal disease burden, cause-specific mortality, and all-cause mortality to derive age-standardized DALYs by sex for Ethiopia for each year...
July 21, 2017: Population Health Metrics
https://www.readbyqxmd.com/read/28732536/national-mortality-burden-due-to-communicable-non-communicable-and-other-diseases-in-ethiopia-1990-2015-findings-from-the-global-burden-of-disease-study-2015
#17
Awoke Misganaw, Tilahun N Haregu, Kebede Deribe, Gizachew Assefa Tessema, Amare Deribew, Yohannes Adama Melaku, Azmeraw T Amare, Semaw Ferede Abera, Molla Gedefaw, Muluken Dessalegn, Yihunie Lakew, Tolesa Bekele, Mesoud Mohammed, Biruck Desalegn Yirsaw, Solomon Abrha Damtew, Kristopher J Krohn, Tom Achoki, Jed Blore, Yibeltal Assefa, Mohsen Naghavi
BACKGROUND: Ethiopia lacks a complete vital registration system that would assist in measuring disease burden and risk factors. We used the Global Burden of Diseases, Injuries, and Risk Factors Study 2015 (GBD 2015) estimates to describe the mortality burden from communicable, non-communicable, and other diseases in Ethiopia over the last 25 years. METHODS: GBD 2015 mainly used cause of death ensemble modeling to measure causes of death by age, sex, and year for 195 countries...
July 21, 2017: Population Health Metrics
https://www.readbyqxmd.com/read/28728874/profile-of-chronic-kidney-disease-related-mineral-bone-disorders-in-newly-diagnosed-advanced-predialysis-diabetic-kidney-disease-patients-a-hospital-based-cross-sectional-study
#18
S Ray, A M Beatrice, A Ghosh, S Pramanik, R Bhattacharjee, S Ghosh, A Raychaudhury, S Mukhopadhyay, S Chowdhury
AIM: Chronic kidney disease related-mineral bone disorder (CKD-MBD) has been poorly studied in pre-dialysis Indian CKD population. There are limited data on the pattern of these disturbances in diabetic CKD patients. Therefore, a study was conducted to find out the profile of mineral bone disorders in T2DM patients with pre-dialysis CKD. METHODS: In this cross-sectional design, diabetic patients with newly-diagnosed stage 4 and 5 CKD were evaluated. Serum levels of calcium, phosphorus, intact parathyroid hormone (iPTH), 25 hydroxy vitamin D and total alkaline phosphatase (ALP) were measured in all patients...
July 8, 2017: Diabetes & Metabolic Syndrome
https://www.readbyqxmd.com/read/28726640/c1q-tnf-related-protein-6-ctrp6-links-obesity-to-adipose-tissue-inflammation-and-insulin-resistance
#19
Xia Lei, Marcus M Seldin, Hannah C Little, Nicholas Choy, Thomas Klonisch, G William Wong
Obesity is associated with chronic low-grade inflammation, and metabolic regulators linking obesity to inflammation have therefore received much attention. Secreted C1q/TNF-related proteins (CTRPs) are one such group of regulators that regulate glucose and fat metabolism in peripheral tissues and modulate inflammation in adipose tissue. We have previously shown that expression of CTRP6 is up-regulated in leptin-deficient mice and, conversely, down-regulated by the anti-diabetic drug, rosiglitazone. Here, we provide evidence for a novel role of CTRP6 in modulating both inflammation and insulin sensitivity...
July 18, 2017: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/28704820/%C3%AE-carotene-concentration-and-its-association-with-inflammatory-biomarkers-in-spanish-schoolchildren
#20
Elena Rodríguez-Rodríguez, Ana M López-Sobaler, Beatriz Navia, Pedro Andrés, Ana I Jiménez-Ortega, Rosa M Ortega
AIM: To examine the correlation between inflammatory biomarkers and plasma β-carotene levels in children. METHODS: A total of 564 Spanish schoolchildren aged 9-12 were observed and studied. Plasma β-carotene levels were assessed by HPLC. A β-carotene level <4.83 µg/dL (0.09 µmol/L) was considered deficient. Plasma tumour necrosis factor-α (TNF-α) and interleukin-6 (IL-6) were measured by immunoenzyme assays. Serum high-sensitivity C-reactive protein (hs-CRP) was tested by immunonephelometry...
July 14, 2017: Annals of Nutrition & Metabolism
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