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41.
Muhammad Tayyab Akhtar Muneeba Samar Anam Amin Shami Muhammad Waseem Mumtaz Hamid Mukhtar Amna Tahir Syed Shahzad-ul-Hussan Safee Ullah Chaudhary Ubedullah Kaka 《Molecules (Basel, Switzerland)》2021,26(15)
Meat is a rich source of energy that provides high-value animal protein, fats, vitamins, minerals and trace amounts of carbohydrates. Globally, different types of meats are consumed to fulfill nutritional requirements. However, the increasing burden on the livestock industry has triggered the mixing of high-price meat species with low-quality/-price meat. This work aimed to differentiate different meat samples on the basis of metabolites. The metabolic difference between various meat samples was investigated through Nuclear Magnetic Resonance spectroscopy coupled with multivariate data analysis approaches like principal component analysis (PCA) and orthogonal partial least square-discriminant analysis (OPLS-DA). In total, 37 metabolites were identified in the gluteal muscle tissues of cow, goat, donkey and chicken using 1H-NMR spectroscopy. PCA was found unable to completely differentiate between meat types, whereas OPLS-DA showed an apparent separation and successfully differentiated samples from all four types of meat. Lactate, creatine, choline, acetate, leucine, isoleucine, valine, formate, carnitine, glutamate, 3-hydroxybutyrate and α-mannose were found as the major discriminating metabolites between white (chicken) and red meat (chevon, beef and donkey). However, inosine, lactate, uracil, carnosine, format, pyruvate, carnitine, creatine and acetate were found responsible for differentiating chevon, beef and donkey meat. The relative quantification of differentiating metabolites was performed using one-way ANOVA and Tukey test. Our results showed that NMR-based metabolomics is a powerful tool for the identification of novel signatures (potential biomarkers) to characterize meats from different sources and could potentially be used for quality control purposes in order to differentiate different meat types. 相似文献
42.
This study demonstrates the inhibitory effect of 42 pyrimidonic pharmaceuticals (PPs) on the 3-chymotrypsin-like protease of SARS-CoV-2 (3CLpro) through molecular docking, molecular dynamics simulations, and free binding energies by means of molecular mechanics–Poisson Boltzmann surface area (MM-PBSA) and molecular mechanics–generalized Born surface area (MM-GBSA). Of these tested PPs, 11 drugs approved by the US Food and Drug Administration showed an excellent binding affinity to the catalytic residues of 3CLpro of His41 and Cys145: uracil mustard, cytarabine, floxuridine, trifluridine, stavudine, lamivudine, zalcitabine, telbivudine, tipiracil, citicoline, and uridine triacetate. Their percentage of residues involved in binding at the active sites ranged from 56 to 100, and their binding affinities were in the range from −4.6 ± 0.14 to −7.0 ± 0.19 kcal/mol. The molecular dynamics as determined by a 200 ns simulation run of solvated docked complexes confirmed the stability of PP conformations that bound to the catalytic dyad and the active sites of 3CLpro. The free energy of binding also demonstrates the stability of the PP–3CLpro complexes. Citicoline and uridine triacetate showed free binding energies of −25.53 and −7.07 kcal/mol, respectively. Therefore, I recommend that they be repurposed for the fight against COVID-19, following proper experimental and clinical validation. 相似文献
43.
Fazaeli Yousef Hosseini Mohammad Amin Shahabinia Fatemeh Feizi Shahzad 《Journal of Radioanalytical and Nuclear Chemistry》2019,320(1):201-207
Journal of Radioanalytical and Nuclear Chemistry - Porphyrins and 68Ga have emerged as novel synergic options for PET applications so the idea of preparation of a novel porphyrin complex using this... 相似文献
44.
Alibe Ibrahim Mustapha Matori Khamirul Amin Sidek Hj Ab Aziz Yaakob Yazid Rashid Umer Alibe Ali Mustapha Zaid Mohd Hafiz Mohd Nasir Salisu Nasir Maharaz Mohammed 《Journal of Thermal Analysis and Calorimetry》2019,136(6):2249-2268
Journal of Thermal Analysis and Calorimetry - Willemite is an inorganic semiconductor material used for optoelectronic applications. The present study purposes a new polymer thermal treatment... 相似文献
45.
Habib Aqsa Iqbal Muhammad Adnan Bhatti Haq Nawaz Shahid Muhammad 《Transition Metal Chemistry》2019,44(5):431-443
Transition Metal Chemistry - A series of bidendate 5,6-dimethyl benzimidazolium-based N-heterocyclic carbene (NHC) proligands and their silver complexes were synthesized. The synthetic approaches... 相似文献
46.
A novel titrimetric method with amplification has been developed for the determination of 0.05–2.0 mg of salicylic, acetylsalicylic, or p-hydroxybenzoic acid. It depends on bromination of these compounds by bromine to tribromophenylhypobromite, which liberates iodine when treated with iodide. The liberated iodine is extracted with chloroform, reduced to iodide, oxidation of the resulting iodide with bromine, and iodometric titration of the iodate produced gives the sixfold amplification method. The coefficient of variation does not exceed 1% for above 0.5 mg of the studied compounds, but increases to 2.8% at the 0.05-mg level. 相似文献
47.
In this paper, molecular dynamics simulation was performed to investigate the liquid∕vapor interfacial structure of neat polar liquids. Large-scale ensembles of liquid pyridine and its alkyl derivatives, 4-methylpyridine and 4-ethylpyridine, were simulated by classical molecular dynamics at 298 K. For the liquid system of low polarity, the surface density profile of the atoms meet exactly at the middle of interfacial region, and atoms of hydrophobic nature can be hardly discriminated from hydrophilic ones in either vapor or liquid sides. For a liquid system of high polarity, the density profile of atoms with different nature is highly discriminated all over the interfacial region, and as the polarity increases, a dense region of atomic density is clearly developed in the subsurface region. The recognized bivariate method was also used to study the molecular orientational distribution quantitatively. Orientational analysis of the three liquid systems indicates that the pyridine ring plane in the outmost surface tends to be vertical. Its tendency in the innermost interfacial region is parallel. The orientational states available to 4-ethylpyridine and pyridine are discriminated by predicting the possibility of a bisector-wise tumbling for the ring plane in pyridine and a side-wise tumbling in 4-ethylpyridine. The orientational distribution maps explain the trend of experimental surface tension and surface entropy. As the dipole moment of these liquids increases with the alkyl chain length, the surface structural profile changes from a regular definite one to a surface of complex atomic structure involving a dense phase near the interface. The development of dense region in alkyl derivatives is the result of segregation of molecules due to the alkyl group, which is captured and discriminated by molecular dynamics simulation even when the length of a short alkyl chain is increased by one carbon atom. 相似文献
48.
Pandey R Kumar P Singh AK Shahid M Li PZ Singh SK Xu Q Misra A Pandey DS 《Inorganic chemistry》2011,50(8):3189-3197
Binuclear zinc(II) and copper(II) complexes based on a new Schiff base ligand N,N'-bis(2-hydroxybenzilidene)-2,4,6-trimethylbenzene-1,3-diamine (H(2)L) have been synthesized. The ligand H(2)L and complexes under investigation have been characterized by elemental analyses, spectral (FT-IR, (1)H, (13)C NMR, ESI-MS, electronic absorption, emission), and electrochemical studies. The structures of H(2)L and complexes [{Zn(C(23)H(18)N(2)O(2))}(2)] (1) and [{Cu(C(23)H(18)N(2)O(2))}(2)]·H(2)O (2) have been determined crystallographically. Selective "On-Off-On" switching behavior of the fluorescent complex 1 has been studied. The fluorescence intensity of 1 quenches (turns-off) upon addition of Cu(2+), while enhances (turns-on) in the presence of Ag(+) ions. The mechanisms of "On-Off-On" signaling have been supported by (1)H NMR, ESI-MS, electronic absorption, and emission spectral studies. Job's plot analysis supported 1:1 and 1:2 stoichiometries for Cu(2+) and Ag(+) ions, respectively. Association and quenching constants have been estimated by the Benesi-Hildebrand method and Stern-Volmer plot. Moreover, 1 mimics a molecular keypad lock that follows correct chemical input order to give maximum output signal. 相似文献
49.
50.
Michael A. Olatunji Mayeen U. Khandaker Ekramul H. N. M. Mahmud Yusoff Md. Amin Janet A. Ademola Deborah O. Olorode 《Journal of Radioanalytical and Nuclear Chemistry》2018,316(3):933-945
Polypyrrole is incorporated with activated carbon in large size dopant solution and investigated for 137Cs removal studies. Adsorption experiments showed optimum conditions within 240 min contact time, pH 6, 0.2 g adsorbent and?≤?100 mg/l adsorbate dose, respectively, while the kinetic data followed pseudo-first-order model. Isotherm data were reproducible by the Langmuir isotherm yielding 23 mg/g maximum sorption capacity. Regeneration of adsorbent was attempted and indicated promising results within three cycles. The surface behavior has also been examined and revealed a well-ordered structure under gamma irradiation. This is a cheap adsorbent to consider and has also proven to possess higher sorption capacity than most highly-cost inorganic materials in use. 相似文献