“…Comput. 2020, 16, 7525], CombiFF was introduced and applied to calibrate a GROMOS-compatible united-atom force field for the saturated acyclic (halo-)alkane family. Here, this scheme is employed for the construction of a corresponding force field for saturated acyclic compounds encompassing eight common chemical functional groups involving oxygen and/or nitrogen atoms, namely: ether, aldehyde, ketone, ester, alcohol, carboxylic acid, amine, and amide. …”
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“…Twenty of them were classified as VOCs into 15 chemical classes including alkanes, alcohols, carbonyl compounds, methylpyridines, benzothiazoles, N-alkylpyrrolidines, pyrazines, and sesquiterpenoids, some of which were previously reported as repellents, defence compounds or defence pheromones in other organisms, and as sex pheromones in a treefrog. …”
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“…FTIR measurements indicated peaks corresponding to different functional groups such as carboxylic acids, alcohol, phenol, esters, ethers, aldehydes, alkanes, and proteins, which were involved in the synthesis and stabilization of AgNPs. …”
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“…The present study investigated the microbial diversity of five terroirs in Cyprus, two from the PGI Lemesos region [Kyperounta (PDO Pitsilia) and Koilani (PDO Krasochoria)], and three from the PGI Pafos region [Kathikas (PDO Laona Akamas), Panayia, and Statos (PDO Panayia)], of two grape varieties, Xynisteri and Maratheftiko, using high-throughput amplicon sequencing. …”
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“…The results show that n-alkanes are characterized by an even carbon number and phytane dominance, suggesting a saline lacustrine environment. …”
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“…A total of 500 on-duty male and female, frontline and non-frontline, nurses were included from five major hospitals in Gujrat (Aziz Bhatti Shaheed Hospital, City Hospital, Doctors Hospital, Akram Hospital, and Gujrat Hospital). Fear of COVID-19 scale and the Urdu version of depression, anxiety, and stress scale - 21 (DASS-21) were used to measure variables of interest. …”
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“…This is of particular importance in conditions of pharmacological CA inhibition, for instance by acetazolamide, which is accompanied by elevated concomitant excretion of nitrate, nitrite and bicarbonate, as well as by urine alkalization. We performed a series of experiments with exogenous bicarbonate (NaHCO(3)) added to human urine samples (range, 0 to 100 mM), as well as with endogenous bicarbonate resulting from the inhibition of CA activity in healthy subjects before and after ingestion of pharmacological acetazolamide. …”
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“…Participants were selected from males and females aged 18 to 60 years old visiting the outpatient obesity clinic of Rasoul-e Akram hospital, Tehran, Iran. The diagnosis of depressive disorder was made based on the Diagnostic and Statistical Manual of Mental Disorders (DSM-5) criteria. …”
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“…A total of 348 volatiles were characterized, including aldehydes, ketones, alcohols, acids, esters, alkenes, alkanes, furans, phenols, and benzene; the relative contents ranged from 7.80–58.68%, 1.73–12.52%, 2.91–37.07%, 2.73–46.50%, 0.99–12.01%, 0.40–14.95%, 0.00–27.23%, 0.00–3.75%, 0.00–7.34%, and 0.00–1.55%, respectively. …”
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“…Analyses of these volatile components indicated that alkenes, alcohols, and alkanes were the three major types of volatile components in the flower petals of N. hybrid. …”
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“…The amphiphilic ligand consists of a thiol-terminated hydrophobic alkane chain, a tetra (ethylene glycol) unit, and a terminal carboxyl group. …”
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“…Also, it exhibits higher selectivities to propylene (37.7 vs. 30.7%) and total butylenes (21.2 vs. 16.1%), propylene to ethylene ratio (4.0 vs. 2.7), as well as total light olefins (68.4 vs. 57.9%) compared to the parent catalyst, while its selectivities to C(1)–C(4) alkanes (9.6 vs. 13.7%) and heavy hydrocarbons (13.8 vs. 28.4%) are relatively lower. …”
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“…Average carbon length of TPHs for odd n-alkanes were C9–C11 (9.446) and C35–C39 (38.980), C9–C11(10.238), C35–C39 (36.510); C9–C11 (10.240) and C35–C39 (36.934). …”
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“…CONCLUSIONS: Therefore, cancer cells which increase export of H(+) equivalents subsequently increase intracellular alkalization, even without oncogenic driver mutations, and this is sufficient to alter cancer metabolism towards an upregulation of aerobic glycolysis, a Warburg phenotype. …”
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“…These metabolites were implicated in the sesquiterpenoid and alkane biosynthetic pathways and the oxalic acid degradation pathway. …”
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“…Exogenous pyruvate as an alkalizer can increase cellular hypoxia and anoxia tolerance with the preservation of classic glycolytic pathways and the reactivation of pyruvate dehydrogenase activity to promote oxidative metabolism and reverse the Warburg effect, robustly preventing and treating hypoxic lactic acidosis, which is one of the fatal complications in critically ill patients. …”
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“…The FTIR spectra of root extracts revealed the occurrence of functional characteristic peaks of alcohols, carboxylic acids, aromatic compounds, alkanes, alkenes, and amines that indicates the presence of various metabolites in the extracts. …”
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“…METHODS: Forty-six CLBP patients without the surgical indication referred to the outpatient orthopedic clinic of Rasoul-e-Akram Hospital, Tehran, Iran, were randomly divided into two study groups: Group A [pregabalin (75 mg twice per day) + placebo] and Group B [pregabalin (75 mg twice per day) + agomelatine (25 mg per night)]. …”
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“…Among 114 volatile compounds detected in dry-cured donkey leg, aldehydes, esters, alkane and alcohols were more abundant in the final products, with relative concentrations of 41.88%, 5.72%, 5.35% and 5.25%, respectively. …”
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“…Furthermore, GC-MS analysis allowed the identification of many biomolecules belonging to terpenoids, esters, alcohols, alkanes, fatty acids, organic acids, benzenes, phenols, ketones, carbonyls, amines, sterols, and other groups. …”
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