Computational biomechanics for a standing human body: Modal analysis and simulation.

We develop computational mechanical modeling and methods for the analysis and simulation of the motions of a human body. This type of work is crucial in many aspects of human life, ranging from comfort in riding, the motion of aged persons, sports performance and injuries, and many ergonomic issues. A prevailing approach for human motion studies is through lumped parameter models containing discrete masses for the parts of the human body with empirically determined spring, mass, damping coefficients.

In Search of a Target Gene for a Desirable Phenotype in Aquaculture: Genome Editing of Cyprinidae and Salmonidae Species.

Aquaculture supplies the world food market with a significant amount of valuable protein. Highly productive aquaculture fishes can be derived by utilizing genome-editing methods, and the main problem is to choose a target gene to obtain the desirable phenotype. This paper presents a review of the studies of genome editing for genes controlling body development, growth, pigmentation and sex determination in five key aquaculture Salmonidae and Cyprinidae species, such as rainbow trout (), Atlantic salmon (), common carp (), goldfish (), Gibel carp () and the model fish zebrafish ().

Selective -C-H Activation in Arenes without Functional Groups.

Aromatic C-H activation in alkylarenes is a key step for the synthesis of functionalized organic molecules from simple hydrocarbon precursors. Known examples of such C-H activations often yield mixtures of products resulting from activation of the least hindered C-H bonds. Here we report highly selective -C-H activation in alkylarenes by simple iridium complexes.

Selective, radical-free activation of benzylic C-H bonds in methylarenes.

We report rare examples of exclusive benzylic C-H oxidative addition in industrially important methylarenes using simple η4-arene iridium complexes. Mechanistic studies showed that coordinatively unsaturated η2-arene intermediates are responsible for the selective activation of benzylic, not aromatic C-H bonds and formation of stable benzyl complexes after trapping with a phosphine ligand.

Infrainguinal bypass under triple nerve block in patients with severely compromised left ventricular ejection fraction and chronic limb-threatening ischemia.

A severely compromised left ventricular ejection fraction (LVEF) is a major limitation for lower extremity bypass reconstruction both under general anesthesia or neuraxial anesthesia (NA). A series of eight infrainguinal bypass procedures were performed under peripheral nerve block in five patients (three males and two females; median age, 67 years) with chronic limb-threatening ischemia and a preoperative LVEF of 35% or less (median, 27%; range, 20%-35%). There were no conversions to neuraxial anesthesia/general anesthesia or early postoperative complications.

Selective cleavage of unactivated arene ring C-C bonds by iridium: key roles of benzylic C-H activation and metal-metal cooperativity.

The cleavage of aromatic C-C bonds is central for conversion of fossil fuels into industrial chemicals and designing novel arene functionalisations through ring opening, expansion and contraction. However, the current progress is hampered by both the lack of experimental examples of selective oxidative addition of aromatic C-C bonds and limited understanding of the factors that favour insertion into the C-C rather than the C-H bonds. Here, we describe the comprehensive mechanism of the only reported chemo- and regioselective insertion of a transition metal into a range of substituted arene rings in simple iridium(i) complexes.

Efficient Palladium-Catalyzed Synthesis of 2-Aryl Propionic Acids.

A flexible two-step, one-pot procedure was developed to synthesize 2-aryl propionic acids including the anti-inflammatory drugs naproxen and flurbiprofen. Optimal results were obtained in the presence of the novel ligand neoisopinocampheyldiphenylphosphine (NISPCPP) () which enabled the efficient sequential palladium-catalyzed Heck coupling of aryl bromides with ethylene and hydroxycarbonylation of the resulting styrenes to 2-aryl propionic acids. This cascade transformation leads with high regioselectivity to the desired products in good yields and avoids the need for additional purification steps.

Transition-Metal-Mediated Cleavage of C-C Bonds in Aromatic Rings.

Metal-mediated cleavage of aromatic C-C bonds has a range of potential synthetic applications: from direct coal liquefaction to synthesis of natural products. However, in contrast to the activation of aromatic C-H bonds, which has already been widely studied and exploited in diverse set of functionalization reactions, cleavage of aromatic C-C bonds remains Terra incognita. This Minireview summarizes the recent progress in this field and outlines key challenges to be overcome to develop synthetic methods based on this fundamental organometallic transformation.

Reversible Insertion of Ir into Arene Ring C-C Bonds with Improved Regioselectivity at a Higher Reaction Temperature.

Regioselective metal insertion into aromatic C-C bonds is a long-standing problem critical for development of new arene functionalizations and cleaner conversion of fossil fuel into value-added chemicals. We report reversible insertion of iridium into the aromatic C-C bonds of η-bound methyl arenes to give eight-membered diiridium metallacycles with yields up to 99%. While at 50-100 °C the reaction yields a mixture of isomers corresponding to iridium insertion in both unsubstituted and Me-substituted ring C-C bonds, at 150 °C a single isomer dominates.

Identification of microsatellite loci in sea anemones and (family Actiniidae).

From the DNA libraries enriched by the repeat motifs (AAAC) , (AATC) , (ACAG) , (ACCT) , (ACTC) , ACTG) , (AAAT) , (AACT) , (AAGT) , (AGAT) , for two viviparous sea anemones and 41 primer pairs were developed. These primer pairs resulted in the identification of 41 candidate microsatellite loci in either or . Polymorphic loci were identified in both sea anemone species for 13 of the primer pairs and can be applicable for population genetics researches.

Experts' opinion about the pediatric secondary headaches diagnostic criteria of the ICHD-3 beta.

Background: The 2013 International Classification of Headache Disorders-3 was published in a beta version to allow clinicians to confirm the validity of the criteria or suggest improvements based on field studies. The aim of this work was to review the Secondary Headache Disorders and Cranial Neuralgias and Other Headache Disorders sections of ICHD-3 beta data on children and adolescents (age 0-18 years) and to suggest changes, additions, and amendments.

Methods: Several experts in childhood headache across the world applied different aspects of ICHD-3 beta in their normal clinical practice.

Experts' opinion about the primary headache diagnostic criteria of the ICHD-3rd edition beta in children and adolescents.

Background: The 2013 International Classification of Headache Disorders-3 (ICHD-3) was published in a beta version to allow the clinicians to confirm the validity of the criteria or to suggest improvements based on field studies. The aim of this work was to review the Primary Headache Disorders Section of ICHD-3 beta data on children and adolescents (age 0-18 years), and to suggest changes, additions, and amendments.

Methods: Several experts in childhood headache across the world applied different aspects of ICHD-3 beta in their normal clinical practice.

Selective Arene Cleavage by Direct Insertion of Iridium into the Aromatic Ring.

We report an unprecedented selective cleavage of aromatic C-C bonds through the insertion of well-defined iridium complexes into the aromatic ring of simple alkylarenes. The insertion occurs at 50-100 °C without the activation of weaker C-H and C-C bonds and gives unique metallacycles in high yields. Key to the success of this approach is metal-induced deformation of the arene ring, which creates temporary ring strain and promotes direct and selective insertion of the metal into the otherwise inert arene ring C-C bonds.

Evolutionary relations and population differentiation of Brandt, Borodin, and Brandt.

Russian ( ), Persian ( ) and Siberian ( ) sturgeons are closely related 'Ponto-Caspian' species. Investigation of their population structure is an important problem, the solution of which determines measures for conservation of these species. According to previous studies, 'baerii-like' mitochondrial genotypes were found in the Caspian Sea among 35% of Russian sturgeon specimens, but were not found in Persian sturgeons.

Biomarkers of migraine: Part 1 - Genetic markers.

Background: Migraine is a multifactorial socially significant disease affecting the peripheral and central nervous system. The diagnosis of "migraine" is still the only clinical, and additional methods of inspection are only required to avoid secondary headaches if certain "signs of danger". Accordingly, the search for biomarkers of migraine, confirming the diagnosis, rather than refuting others, is the leading vector in this scientific field.

Linear-selective hydroarylation of unactivated terminal and internal olefins with trifluoromethyl-substituted arenes.

We report a series of hydroarylations of unactivated olefins with trifluoromethyl-substituted arenes that occur with high selectivity for the linear product without directing groups on the arene. We also show that hydroarylations occur with internal, acyclic olefins to yield linear alkylarene products. Experimental mechanistic data provide evidence for reversible formation of an alkylnickel-aryl intermediate and rate-determining reductive elimination to form the carbon-carbon bond.

Effects of MTHFR gene polymorphism on the clinical and electrophysiological characteristics of migraine.

Background: It was previously shown that the MTHFR gene polymorphism correlated with an increased risk of migraine, particularly migraine with aura. The substitution of cytosine for thymine at the position 677 of the MTHFR gene leads to formation of the thermolabile form of the protein and development of hyperhomocysteinemia, which increases the probability of migraine. The purpose of this study was to determine whether the replacement of C677T in the gene MTHFR influenced any particular symptoms of the disease.

A heterogeneous nickel catalyst for the hydrogenolysis of aryl ethers without arene hydrogenation.

A heterogeneous nickel catalyst for the selective hydrogenolysis of aryl ethers to arenes and alcohols generated without an added dative ligand is described. The catalyst is formed in situ from the well-defined soluble nickel precursor Ni(COD)(2) or Ni(CH(2)TMS)(2)(TMEDA) in the presence of a base additive, such as (t)BuONa. The catalyst selectively cleaves C(Ar)-O bonds in aryl ether models of lignin without hydrogenation of aromatic rings, and it operates at loadings down to 0.

Selective, nickel-catalyzed hydrogenolysis of aryl ethers.

Selective hydrogenolysis of the aromatic carbon-oxygen (C-O) bonds in aryl ethers is an unsolved synthetic problem important for the generation of fuels and chemical feedstocks from biomass and for the liquefaction of coal. Currently, the hydrogenolysis of aromatic C-O bonds requires heterogeneous catalysts that operate at high temperature and pressure and lead to a mixture of products from competing hydrogenolysis of aliphatic C-O bonds and hydrogenation of the arene. Here, we report hydrogenolyses of aromatic C-O bonds in alkyl aryl and diaryl ethers that form exclusively arenes and alcohols.

A general and efficient catalyst for palladium-catalyzed C-O coupling reactions of aryl halides with primary alcohols.

An efficient procedure for palladium-catalyzed coupling reactions of (hetero)aryl bromides and chlorides with primary aliphatic alcohols has been developed. Key to the success is the synthesis and exploitation of the novel bulky di-1-adamantyl-substituted bipyrazolylphosphine ligand L6. Reaction of aryl halides including activated, nonactivated, and (hetero)aryl bromides as well as aryl chlorides with primary alcohols gave the corresponding alkyl aryl ethers in high yield.

Palladium-catalyzed formylation of aryl bromides: elucidation of the catalytic cycle of an industrially applied coupling reaction.

The first comprehensive study of the catalytic cycle of the palladium-catalyzed formylation of aryl bromides with synthesis gas (CO/H2, 1:1) is presented. The formylation in the presence of efficient (Pd/PR2(n)Bu, R = 1-Ad, (t)Bu) and nonefficient (Pd/P(t)Bu3) catalysts was investigated. The main organometallic complexes involved in the catalytic cycle were synthesized and characterized, and their solution chemistry was studied in detail.