نتایج جستجو برای: opls

تعداد نتایج: 576  

Journal: :Cancer prevention research 2010
Mohammed Taoudi Benchekroun Pierre Saintigny Sufi M Thomas Adel K El-Naggar Vassiliki Papadimitrakopoulou Hening Ren Wenhua Lang You-Hong Fan Jianhua Huang Lei Feng J Jack Lee Edward S Kim Waun Ki Hong Faye M Johnson Jennifer R Grandis Li Mao

UNLABELLED Leukoplakia is the most common premalignant lesion of the oral cavity. Epidermal growth factor receptor (EGFR) abnormalities are associated with oral tumorigenesis and progression. We hypothesized that EGFR expression and gene copy number changes are predictors of the risk of an oral premalignant lesion (OPL) progressing to oral squamous cell carcinoma (OSCC). A formalin-fixed, paraf...

2016
Tanvi Dosi Dhaman Gupta Alka Hazari Rajan Rajput Prabhav Chauhan Anushri S. Rajapuri

AIMS AND OBJECTIVES To study the genotoxic effects of tobacco on the exfoliated buccal epithelial cells in patients with oral precancerous lesions (OPLs) and Patients with tobacco habit but without oral precancerous lesion(habit controls) by using micronucleus assay as well as the quantification and detection of the biomarkers in these premalignant lesions which will be helpful in finding those...

2015
Michael J. Robertson Julian Tirado-Rives William L. Jorgensen

The development and validation of new peptide dihedral parameters are reported for the OPLS-AA force field. High accuracy quantum chemical methods were used to scan φ, ψ, χ1, and χ2 potential energy surfaces for blocked dipeptides. New Fourier coefficients for the dihedral angle terms of the OPLS-AA force field were fit to these surfaces, utilizing a Boltzmann-weighted error function and system...

Journal: :Metals 2023

Single Al wires from unused AAAC (A50) cables were studied after laboratory fatigue testing, which simulated processes arising in these during their operation the of overhead power lines (OPLs) and are valuable for predicting lifespan OPLs. These wires, either fractured testing (maximum loads—149.4–155.9 MPa; number cycles till rupture—83,656–280,863) or remained intact, examined by X-ray diffr...

Journal: :Biophysical journal 2013
Magnus Andersson Jakob P Ulmschneider Martin B Ulmschneider Stephen H White

The distribution of peptide conformations in the membrane interface is central to partitioning energetics. Molecular-dynamics simulations enable characterization of in-membrane structural dynamics. Here, we describe melittin partitioning into dioleoylphosphatidylcholine lipids using CHARMM and OPLS force fields. Although the OPLS simulation failed to reproduce experimental results, the CHARMM s...

2012
Tao Wu Ming Yang Hua-Feng Wei Song-Hua He Shun-Chun Wang Guang Ji

Metabolic profiling is widely used as a probe in diagnosing diseases. In this study, the metabolic profiling of urinary carbohydrates was investigated using gas chromatography/mass spectrometry (GC/MS) and multivariate statistical analysis. The kernel-based orthogonal projections to latent structures (K-OPLS) model were established and validated to distinguish between subjects with and without ...

Journal: :Chemometrics and Intelligent Laboratory Systems 2021

Fish oil is a common source of fat in fish feed production. However, there tendency to substitute with other fats such as lard reduce production costs. Thus, an efficient method for detection highly needed feed’s authenticity. In this study, sn-2 fatty acids (sn-2 FAs) and acid (FA) compositions were incorporated chemometric techniques namely Principal Component Analysis (PCA), Orthogonal Parti...

2014
Mona M Abdo Essam T Gaballah

Objectives: Oral squamous cell cacrcinoma(OSCC) comprises 90% of all oral cancers and 16-62% of OSCC develop from oral premalignant lesions (OPLs). Lymph node metastasis is a major prognostic indicator for OSCC progression. It has been revealed that lymphangiogenic growth factor VEGF-C plays an important role in invasion and nodal metastasis of cancer cells. This study was performed to investig...

2015
Louise S Conwell Mark P Hodson Panagiotis K Chrysanthopoulos Ristan M Greer Lars K Nielsen Tracey Baskerville

Methods Design Case control study. Setting Tertiary paediatric hospital clinic. Population 27 (14F/13M) adolescents with T1D (age (median, interquartile range) 15.5, 14.7-16.4 years; duration 7.7; 6.0-11.8 years; HbA1c 9.1, 8.1-10.1%); glucose 13.35 (7.60-17.85) and 27 (14F/13M) control participants (age 15.1, 14.4-16.8 years). BMI was <95 percentile. Measures Fasting plasma and urine metabolom...

علی خانلرخانی, لیلا ابراهیمی محمد رضا واعظی مهران ببری

در این مطالعه، مدل OPLS تمام اتمی برای عامل شیمیایی خردل گوگردی به منظور بررسی جذب این ترکیب بر روی نانوساختار گرافن ارایه شده است. پارامترهای پیوندی درون ملکولی و هم‌چنین پارامترهای غیرپیوندی لنارد - جونز تک‌تک اتم‌های خردل، از منابع OPLS موجود استخراج شد. بارهای جزیی با استفاده از محاسبات کوانتومی آغازین به روش HF/6-31g(d) به‌دست آمد. نتایج حاصل نشان داد میدان نیروی OPLS خواص فیزیکی خردل مانن...

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