The accuracy of two widely used scalar relativistic Hartree-Fock pseudopotentials, the Trail-Needs-Dirac-Fock (TNDF) and the Burkatzki-Filippi-Dolg (BFD) pseudopotentials, is assessed. The performance of the pseudopotentials is tested for a chemically representative set of 34 first-row molecules. All comparisons are made at the Hartree-Fock level of theory, and both sets of pseudopotentials giv...

Threats from landfill leachate leakage to groundwater quality in remote areas is a major concern globally. Buffering distance (BFD) maintained between site and supply wells important prevent drinking water contamination of hazardous pollutant. Ignoring the increase end life leads an underestimate BFD demand, posing potential threat safety. This paper constructs framework for prediction with con...

Intravesical adjuvant chemotherapy and neoadjuvant chemotherapy has been respectively administered for superficial transitional cell carcinoma (TCC) of urinary bladder and advanced TCC for years. However, the therapeutic efficacy is limited. Recently, overexpression of aldo-keto reductase (AKR) in lung, esophageal, uterine cervical and ovarian cancers was shown to be closely associated with dis...

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Benzoylformate decarboxylase (BFD) from Pseudomonas putida was subjected to directed molecular evolution to generate mutants with increased carboligase activity which is a side reaction of the enzyme. After a single round of random mutagenesis mutants were isolated which exhibited a 5-fold increased carboligase activity in aqueous buffer compared to the wild-type enzyme with a high enantiomeric...

Systematic assessment of muscle strength of the lower extremities throughout the annual training cycle in athletes is crucial from a performance perspective for the optimization of the training process, as well as a health perspective with regard to injury prevention. The main aim of the present study was to determine isokinetic muscle strength of the knee flexors and extensors in female handba...

Despite its essentiality to life, iron presents significant challenges to cells: the exceedingly low solubility of Fe3+ limits its bioavailability, and the reactivity of Fe2+ toward H2O2 is a source of the toxic hydroxyl radical (HO•). Consequently, cellular levels of free iron are highly regulated to ensure sufficiency while preventing iron-induced toxicity. Relatively little is known about th...

This paper presents solutions of the fractional partial differential equation (fPDE) for analysing water movement in soils. The fPDE explains processes equivalent to the concept of symmetrical fractional derivatives (SFDs) which have two components: the forward fractional derivative (FFD) and backward fractional derivative (BFD) of water movement in soils with the BFD representing the micro-sca...

Chronic arsenic intoxication has been an issue of public health concern in some countries in Asia, such as Taiwan, Mainland China, Bangladesh, India, and Thailand. In Taiwan, an endemic peripheral vascular disease known as ‘blackfoot disease’ (BFD) located in a confined area along the southwestern coast of Taiwan attracted the attention of the government and the scientific professionals since m...

OBJECTIVE Long-term arsenic exposure has been reported to associated with prevalence, incidence, and mortality of diabetes mellitus (DM). A tap water supply system was implemented in the early 1960s in the blackfoot disease (BFD) endemic areas. The objective of this study is to examine whether DM mortality decreased after the improvement of drinking water supply system through elimination of ar...