Modern information technologies in construction of kinetic models for reactions of metal complex catalysis

For detailed study of complex chemical reactions mechanisms experiment is conducted for selected private reactions. This causes a problem of kinetic parameters getting—the same set of rate constants must describe both public and private reaction stages, and also a general mechanism. In this paper, solution of this problem for a reaction of olefins hydroalumination is proposed. To optimize the computational process a methodology of parallelization is elaborated. On the base of parallel computations, a kinetic model for the reaction assigned is constructed, and on its base, the physical and chemical conclusions about reaction mechanism are done.     

Hypertension in Prenatally Undernourished Young-Adult Rats Is Maintained by Tonic Reciprocal Paraventricular–Coerulear Excitatory Interactions

Prenatally malnourished rats develop hypertension in adulthood, in part through increased α₁-adrenoceptor-mediated outflow from the paraventricular nucleus (PVN) to the sympathetic system. We studied whether both α₁-adrenoceptor-mediated noradrenergic excitatory pathways from the locus coeruleus (LC) to the PVN and their reciprocal excitatory CRFergic connections contribute to prenatal undernutrition-induced hypertension. For that purpose, we microinjected either α₁-adrenoceptor or CRH receptor agonists and/or antagonists in the PVN or the LC, respectively. We also determined the α₁-adrenoceptor density in whole hypothalamus and the expression levels of α_1A-adrenoceptor mRNA in the PVN. The results showed that: (i) agonists microinjection increased systolic blood pressure and heart rate in normotensive eutrophic rats, but not in prenatally malnourished subjects; (ii) antagonists microinjection reduced hypertension and tachycardia in undernourished rats, but not in eutrophic controls; (iii) in undernourished animals, antagonist administration to one nuclei allowed the agonists recover full efficacy in the complementary nucleus, inducing hypertension and tachycardia; (iv) early undernutrition did not modify the number of α₁-adrenoceptor binding sites in hypothalamus, but reduced the number of cells expressing α_1A-adrenoceptor mRNA in the PVN. These results support the hypothesis that systolic pressure and heart rate are increased by tonic reciprocal paraventricular–coerulear excitatory interactions in prenatally undernourished young-adult rats.     

Ultrasound-assisted crystallization (sonocrystallization)

The positive influence of ultrasound (US) on crystallization processes is shown by the dramatic reduction of the induction period, supersaturation conditions and metastable zone width. Manipulation of this influence can be achieved by changing US-related variables such as frequency, intensity, power and even geometrical characteristics of the ultrasonic device (e.g. horn type size). The volume of the sonicated solution and irradiation time are also variables to be optimized in a case-by-case basis as the mechanisms of US action on crystallization remain to be established. Nevertheless, the results obtained so far make foreseeable that crystal size distribution, and even crystal shape, can be ‘tailored’ by appropriate selection of the sonication conditions.     

Noninvasive prenatal paternity testing by maternal plasma DNA sequencing in twin pregnancies

SNPs, combined with massively parallel sequencing technology, have proven applicability in noninvasive prenatal paternity testing (NIPPT) for singleton pregnancies in our previous research, using circulating cell-free DNA in maternal plasma. However, the feasibility of NIPPT in twin pregnancies has remained uncertain. As a pilot study, we developed a practical method to noninvasively determine the paternity of twin pregnancies by maternal plasma DNA sequencing based on a massively parallel sequencing platform. Blood samples were collected from 15 pregnant women (twin pregnancies at 9–18 weeks of gestation). Parental DNA and maternal plasma cell-free DNA were analyzed with custom-designed probes covering 5226 polymorphic SNP loci. A mathematical model for data interpretation was established, including the zygosity determination and paternity index calculations. Each plasma sample was independently tested against the alleged father and 90 unrelated males. As a result, the zygosity in each twin case was correctly determined, prior to paternity analysis. Further, the correct biological father was successfully identified, and the paternity of all 90 unrelated males was excluded in each case. Our study demonstrates that NIPPT can be performed for twin pregnancies. This finding may contribute to development in NIPPT and diagnosis of certain genetic diseases.     

Dos(e)Age: Role of Dose and Age in the Long-Term Effect of Cannabinoids on Cognition

Cannabis is still the most widely used illicit drug around the world. While its use has always been prevalent among adolescents, recent evidence suggests that its consumption is also increasing among other population groups, such as pregnant women and aged people. Given the known impact of cannabis on brain development and behavior, it is important to dissect the possible long-term impact of its use across different age groups, especially on measures of cognitive performance. Animal models of cannabinoid exposure have represented a fundamental tool to characterize the long-lasting consequences of cannabinoids on cognitive performance and helped to identify possible factors that could modulate cannabinoids effects in the long term, such as the age of exposure and doses administered. This scoping review was systematically conducted using PubMed and includes papers published from 2015 to December 2021 that examined the effects of cannabinoids, either natural or synthetic, on cognitive performance in animal models where exposure occurred in the prenatal period, during adolescence, or in older animals. Overall, available data clearly point to a crucial role of age in determining the long-term effect of cannabinoid on cognition, highlighting possible detrimental consequences during brain development (prenatal and adolescent exposure) and beneficial outcomes in old age. In contrast, despite the recent advances in the field, it appears difficult to clearly establish a possible role of dosage in the effects of cannabinoids on cognition, especially when the adolescent period is taken into account.     

果树种植最佳土地租赁期的数学模型建构

以种植果树为例,根据果树种植的客观规律,引进折扣因子δ=U-α,给出了通过确定投资合同期使利润达到最大的数学模型,并进行了讨论和推广.     

红外光谱技术对广东博罗横岭山商周时期墓地出土古玉器上蜡工艺的揭示及其意义

广东博罗横岭山商周时期墓地是广东省目前所发现的最重要的商周时期墓葬群,该墓地出土的玉器样品通过一系列的科学鉴定研究后发现,玉器的红外光谱在2 960 cm-1(相对较弱)、2 920和2 853 cm-1附近出现了2～3个明显的特征性吸收峰,结合对纯蜡样品、现代上蜡玉器样品的测试比较,认为博罗横岭山墓地出土玉器在加工过程中曾经经过上蜡处理,首次揭示出商周时期岭南先民掌握了在加工中利用蜡来增加玉器美观技术的事实。     

基于氧化石墨烯的长周期光纤光栅的全光控制

实验验证了一种通过将氧化石墨烯分散液沉积在长周期光纤光栅的全光控制的相关研究。通过外加的垂直泵浦光的作用,氧化石墨烯吸收泵浦光产生热量,改变长周期光纤光栅的包层模式的相位差,由于热膨胀的作用改变了氧化石墨烯所覆盖部分的光栅周期,使得谐振谱发生了移动,其最大调制深度可达10.6 dB,谐振谱最大可红移12.8 nm。通过实验发现,沉积相同浓度氧化石墨烯分散液的次数影响实验结果,通过在相同光栅的相同位置分别沉积三次,发现沉积三次可以在光纤表面获得更加均匀的氧化石墨烯膜,进行了时间响应的测试,其中沉积三次后的长周期光纤光栅的响应速度可达0.61 ms,沉积多次氧化石墨烯分散液可以在光纤表面沉积得更加平整均匀,从而获得更大的导热性能。     

CROSS-LINKING OF AROMATIC POLY（THIOETHER）S

A novel cross-linking process using two high molecular weight aromatic poly(thioether)s,which were synthesized by the reactions of 4,4′-thiobisbenzenethiol with 4,4′-difluorobenzophenone and 4,4′-difluorodiphenylsulfone,respectively, and commercially available lower molecular weight poly(p-phenylene sulfide)was investigated.These reactions were carried out in bulk by the addition of silver tetrafluroborate andα,α′-dibromo-p-xylene at 190℃over a period of 45 min. Furthermore,the same procedure could be modified to cross-link compression-molded films of these three polymers.The thermal and solubility behaviors of these polymers before and after cross-linking reactions,are presented.     

Detection of water in jet fuel using layer-by-layer thin film coated long period grating sensor

The quantitative measurement of jet fuel additives in the field is of interest to the Air Force. The “smart nozzle” project was designed as a state-of-the-art diagnostics package attached to a single-point refueling nozzle for assessing key fuel properties as the fuel is dispensed. The objective of the work was to show proof of concept that a layer-by-layer thin film and long period grating fibers could be used to detect the presence of water in jet fuel. The data for the nafion/PDMA film and a long period grating fiber is a combination capable of quantitative measurement of water in kerosene. The average response (spectral loss wavelength shift) to the kerosene sample ranged from −6.0 for 15 ppm to −126.5 for 60 ppm water. The average calculated value for the check standard was 21.71 and ranged from 21.25 to 22.00 with a true value of 22.5 ppm water. Potential interferences were observed and are judged to be insignificant in real samples.