Molecular dynamic studies of the compatibility of some cellulose derivatives with selected ionic liquids

Molecular dynamics techniques were used to study oligomers that mimic cellulose and various derivatives in the amorphous phase, including cellulose (C), methyl cellulose (MC), hydroxypropyl cellulose (HPC), and carboxymethyl cellulose (CMC). Densities and solubility parameters were determined for a series of oligomers with increasing chain length. Both properties were found to change linearly with the degree of polymerization (from monomers to dodecamers). Extrapolated predictions of the densities (g/cm³) for long chain polymers are: C, 1.42; MC, 1.33; HPC, 1.30; and CMC, 1.42. Computed values for the solubility parameter (MPa^1/2) are: C, 25.39; MC, 21.43; HPC, 21.70; and CMC, 24.35. We also evaluated the sensitivity of the solubility parameter to changes in the calculated density and found the dependence to be significant. The calculated solubility parameters were evaluated against experimental and other theoretical values as well as against selected ionic liquids comprised of cations in the imidazolium family and the chloride and trifluoroacetate anions.     

Training of laboratory-housed non-human primates in the UK

Abstract

Laboratory-housed non-human primates may experience a range of potential stressors, including physical and chemical restraint, venepuncture, injection, catching and cage-change. Training them to co-operate, using positive reinforcement techniques, is one means of significantly reducing the adverse impact of such procedures upon them and, therefore, is a refinement. Furthermore, the additional time that staff spend with the primates, and the need for individual recognition and close observation of animal behavior, mean that the trainer develops a relationship with each individual animal which can be beneficial for animal welfare (e.g., by reducing the occurrence of abnormal behavior and fear of humans). We surveyed use of training in thirteen UK establishments using and breeding primates, utilizing a mixed-mode questionnaire. The survey demonstrated that there is widespread awareness of training as a refinement and appreciation of its diverse benefits, but training is not used as widely or as fully as it might be. This is largely due to real constraints (principally staff and time and a lack of confidence in ability to train), and perceived constraints (such as a supposed lack of information on how to train and assessment of the benefits, and an overestimation of the time investment needed). There is also considerable variation between establishments in the purposes of training and techniques used, with a reliance on negative reinforcement in three. We conclude that there is considerable scope for refinement of common scientific, veterinary and husbandry procedures, and refer to some resources designed to help establishments take action (e.g., Prescott and Buchanan-Smith 2003).     

Coagulase-negative staphylococci strains resistant to oxacillin isolated from neonatal blood cultures

Coagulase-negative staphylococci (CoNS) are the microorganisms most frequently isolated from clinical samples and are commonly found in neonatal blood cultures. Oxacillin is an alternative treatment of choice for CoNS infections; however, resistance to oxacillin can have a substantial impact on healthcare by adversely affecting morbidity and mortality. The objective of this study was to detect and characterise oxacillin-resistant CoNS strains in blood cultures of newborns hospitalised at the neonatal ward of the University Hospital of the Faculty of Medicine of Botucatu. One hundred CoNS strains were isolated and the mecA gene was detected in 69 of the CoNS strains, including 73.2% of Staphylococcus epidermidis strains, 85.7% of Staphylococcus haemolyticus strains, 28.6% of Staphylococcus hominis strains and 50% of Staphylococcus lugdunensis strains. Among these oxacillin-resistant CoNS strains, staphylococcal cassette chromosome mec (SCCmec) type I was identified in 24.6%, type II in 4.3%, type III in 56.5% and type IV in 14.5% of the strains. The data revealed an increase in the percentage of CoNS strains isolated from blood cultures from 1991-2009. Furthermore, a predominant SCCmec profile of the oxacillin-resistant CoNS strains isolated from neonatal intensive care units was identified with a prevalence of SCCmec types found in hospital-acquired strains.     

不同护坡草本植物的根系特征及对土壤渗透性的影响

为明确三峡库区植被边坡植物物种根系特征与土壤渗透性之间的关系,以裸地为对照,应用WinRHIZO(Pro.2004c)根系分析系统对香根草(Vetiveria zizanioides(Lin.) Nash)、百喜草(Paspalum notatum Flugge)、狗牙根(Cynodon dactylon (L) Pers.)和紫花苜蓿(Medicago sativa L.)等4种护坡草本的根系特征进行定量分析.结果表明:(1)紫花苜蓿和香根草的根长密度和根表面积密度显著大于狗牙根和百喜草;(2)不同草本类型和同一草本不同土层之间土壤渗透性存在较大差异,且各草本土壤渗透性随土层深度的增加而降低;相对于裸地而言,4种草本均能显著增强土壤渗透性,其土壤渗透性优劣表现为:香根草＞紫花苜蓿＞百喜草＞狗牙根;(3)土壤的初始入渗率、稳渗率、平均渗透率和渗透总量等各参数均随根长密度和根表面积密度增大而增强,且与直径介于0.5-5 mm不同径级的根系特征之间存在明显的相关性,故根系对土壤渗透性的增强作用主要归功于0.5-5 mm径级的根长密度和根表面积密度;(4)根长密度、根表面积密度对考斯加科夫入渗模型参数K和a有较大影响,随着根长密度和根表面积密度的增加,表征土壤初始入渗率的K值逐渐增大,而表征入渗能力衰减的参数a逐渐减小.     

水分对番茄不同叶龄叶片光合作用的影响

以番茄品种"金棚1号"为材料,采用盆栽方式,按照蒸腾蒸发量(ET)的50%、75%、100%和125%作为补充灌溉量研究了不同水分下番茄结果期叶片气体交换特性和光响应特征参数随叶龄的变化。结果表明:番茄叶片随着叶龄的增加,净光合速率(Pn)、气孔导度(Gs)、蒸腾速率(Tr)逐渐降低,水分利用效率(WUE)呈先上升后下降趋势;叶龄为18 d和29 d的叶片最大净光合速率(Pmax)随灌溉量的增加均先增加后降低,分别在75%ET和100%ET处理达到最大值。叶龄为38 d和47 d的叶片Pmax均以125%ET处理最大。表观量子效率(α)随叶龄的增大也先升高后下降,在叶龄为38 d时最大;番茄叶片的光饱和点(LSP)随叶龄的加大而减小。不同水分处理下不同叶龄叶片的光响应特征参数为:叶片在叶龄为18 d时,Pmax为20.64—26.73μmol.m-.2s-1,α为0.0518—0.0556;叶龄为29 d时,Pmax为11.00—24.24μmol.m-.2s-1,α为0.0522—0.0594;叶龄为38 d时,Pmax为11.77—18.18μmol.m-.2s-1,α为0.0619—0.0693;叶龄为47 d时,Pmax为9.09—18.17μmol.m-.2s-1,α为0.0538—0.0606。随叶龄加大,增加补充灌溉量有利于延缓叶片光合能力的降低。气孔限制是水分影响番茄叶片光合作用的主要因素,气孔限制与非气孔限制因素是番茄叶片Pn随叶龄变化的原因。     

Application of Axial-haloketone Rule to Lactones

Antifungal activities were examined and compared for some 40 kinds of aliphatic and aromatic aldehydes, alcohols, phenolic compounds, ether compounds and hydrocarbons from essential oils and for some related compounds, using seven fungi.     

Effect of enzyme dehydration on alcalase‐catalyzed dipeptide synthesis in near‐anhydrous organic media

The effect of enzyme dehydration by molecular sieves on the coupling of phenylalanine amide and the carbamoylmethyl ester of N‐protected phenylalanine in near‐anhydrous tetrahydrofuran was investigated. This coupling was catalyzed by Alcalase covalently immobilized onto macroporous acrylic beads (Cov); these immobilized enzymes were hydrated prior to use. The dehydration kinetics of Cov by molecular sieve powder were determined by incubating Cov with different amounts of molecular sieve powder for different periods of time (0–80 h). Subsequently, the remaining coupling activity of Cov was measured. Dehydration‐induced inactivation of Cov by molecular sieve powder was found to occur in three phases: (1) an initial, rapid, major dehydration‐induced inactivation that takes place during the first activity measurement, (2) a phase of first‐order inactivation, and (3) a plateau phase in activity. These dehydration kinetics were incorporated into a previously found reaction kinetics model. The resulting model was then used to fit progress curve data of the coupling in the presence of different amounts of molecular sieve powder. Upon establishment of parameter values, the model was used to predict independent data sets and found to work well. © 2013 American Institute of Chemical Engineers Biotechnol. Prog., 29:870–875, 2013     

Process model comparison and transferability across bioreactor scales and modes of operation for a mammalian cell bioprocess

A Monod kinetic model, logistic equation model, and statistical regression model were developed for a Chinese hamster ovary cell bioprocess operated under three different modes of operation (batch, bolus fed‐batch, and continuous fed‐batch) and grown on two different bioreactor scales (3 L bench‐top and 15 L pilot‐scale). The Monod kinetic model was developed for all modes of operation under study and predicted cell density, glucose glutamine, lactate, and ammonia concentrations well for the bioprocess. However, it was computationally demanding due to the large number of parameters necessary to produce a good model fit. The transferability of the Monod kinetic model structure and parameter set across bioreactor scales and modes of operation was investigated and a parameter sensitivity analysis performed. The experimentally determined parameters had the greatest influence on model performance. They changed with scale and mode of operation, but were easily calculated. The remaining parameters, which were fitted using a differential evolutionary algorithm, were not as crucial. Logistic equation and statistical regression models were investigated as alternatives to the Monod kinetic model. They were less computationally intensive to develop due to the absence of a large parameter set. However, modeling of the nutrient and metabolite concentrations proved to be troublesome due to the logistic equation model structure and the inability of both models to incorporate a feed. The complexity, computational load, and effort required for model development has to be balanced with the necessary level of model sophistication when choosing which model type to develop for a particular application. © 2012 American Institute of Chemical Engineers Biotechnol. Prog., 2013