Nucleophilic substitutions on 3-chloro-4- fluoronitrobenzene

Nucleophilic substitutions on 3-chloro-4- fluoronitrobenzene 5 with piperazines occur on the fluorine rather than on the chlorine atom as reported, to yield 3-chloro-4-piperazinylnitrobenzenes 8 and 9

What works to reduce sedentary behavior in the office, and could these intervention components transfer to the home working environment?:A rapid review and transferability appraisal

BackgroundWorking patterns have changed dramatically due to COVID-19, with many workers now spending at least a portion of their working week at home. The office environment was already associated with high levels of sedentary behavior, and there is emerging evidence that working at home further elevates these levels. The aim of this rapid review (PROSPERO CRD42021278539) was to build on existing evidence to identify what works to reduce sedentary behavior in an office environment, and consider whether these could be transferable to support those working at home.MethodsThe results of a systematic search of databases CENTRAL, MEDLINE, Embase, PsycInfo, CINHAL, and SportDiscus from 10 August 2017 to 6 September 2021 were added to the references included in a 2018 Cochrane review of office based sedentary interventions. These references were screened and controlled peer-reviewed English language studies demonstrating a beneficial direction of effect for office-based interventions on sedentary behavior outcomes in healthy adults were included. For each study, two of five authors screened the title and abstract, the full-texts, undertook data extraction, and assessed risk of bias on the included studies. Informed by the Behavior Change Wheel, the most commonly used intervention functions and behavior change techniques were identified from the extracted data. Finally, a sample of common intervention strategies were evaluated by the researchers and stakeholders for potential transferability to the working at home environment.ResultsTwenty-two studies including 29 interventions showing a beneficial direction of effect on sedentary outcomes were included. The most commonly used intervention functions were training (n = 21), environmental restructuring (n = 21), education (n = 15), and enablement (n = 15). Within these the commonly used behavior change techniques were instructions on how to perform the behavior (n = 21), adding objects to the environment (n = 20), and restructuring the physical environment (n = 19). Those strategies with the most promise for transferring to the home environment included education materials, use of role models, incentives, and prompts.ConclusionsThis review has characterized interventions that show a beneficial direction of effect to reduce office sedentary behavior, and identified promising strategies to support workers in the home environment as the world adapts to a new working landscape.Systematic Review Registration:https://www.crd.york.ac.uk/prospero/display_record.php?ID=CRD42021278539, identifier CRD42021278539

Nucleophilic substitutions on 3-chloro-4-fluoronitrobenzene

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Methods to introduce floating bridge motion and wind excitation on a model for the investigation of heavy vehicle dynamics

The proposed floating bridge solution at Bj\uf8rnafjorden in connection with the E39 infrastructure upgrade is an enabler to realize efficient transportation. This bridge and the vehicles shuttling on it will be exposed to inclement weather conditions. The waves and wind excite the floating bridge to induce compound motion in addition to the aerodynamic crosswinds directly interacting with the vehicles. Methods to introduce the complex motion of the floating bridge (multi-post test rig) and aerodynamic crosswinds on a tractor semi-trailer have been established and presented in this paper. The environment-vehicle-driver system is enabled through a co-simulation between MATLAB/Simulink (primary) and Adams (secondary). This complex interplay is studied on the intricate 627-DoF Adams vehicle model coupled with the Adams driver model. Numerical simulations are performed for multiple constant vehicle speeds under laden condition on a road with friction of 0.7 for the 1-year storm weather condition. Vehicle stability and safety assessments such as lane violation, path following ability, rollover risk, and lateral side slip limit are evaluated to draw inferences. Subsequently, permissible vehicle speed for a laden tractor semi-trailer to operate on the floating bridge is suggested. Furthermore, a simpler 9-DoF tractor semi-trailer vehicle model developed in MATLAB/Simulink combined with the pure pursuit tracking based driver model is compared with the Adams model under identical environmental conditions for an unladen case. The simpler vehicle-driver model is validated against the detailed Adams vehicle-driver model through numerical simulations for different constant vehicle speeds

Stereochemistry of gabapentin and several derivatives: solid state conformations and solution equilibria

Gabapentin (1-(aminomethyl)cycloheaxaneacetic acid; Gpn) is a widely used anti-epileptic drug. The target site of action of Gpn remains controversial. Gpn can exist in two isomeric chair forms. The crystal structures of Gpn 1 and eight derivatives, Gpn hydrochloride 2, Gpn lactam 3, Boc-Gpn-OH 4, Ac-Gpn-OH 5, Piv- Gpn-OH 6, Tosyl-Gpn-OH 7, Boc-Gpn-OSu 8 and Boc-Gpn-NHMe 9, are described. The aminomethyl group occupies an axial position in 1, 3, 6 and 7, while it lies in an equatorial orientation in 2, 4, 5 and 8. The structure of Boc-Gpn-NHMe 9 reveals that the crystals contain both chair forms of the derivative in the ratio 0.7:0.3, favouring the aminomethyl group in an axial position. In all cases, the torsional angles about the Cα–Cβ (θ1) and Cβ–Cγ (θ2) bonds of the g-amino acid residue are characteristic of a gauche, gauche (g, g) conformation. In solution, NMR studies establish rapid conformational exchange, as anticipated, at room temperature. Low temperature NMR studies permit conformational freezing and determination of the freeenergy difference between the two 1,1-disubstituted cyclohexane conformers. The largest free-energy difference is observed in the free amino acid (0.38 kcal mol–1), with the most stable conformer having the aminomethyl group in the equatorial position. The free-energy difference between the two forms is significantly reduced in the protected derivatives, with almost equal populations observed in solution for the fully protected neutral derivatives, Boc-Gpn-NHMe and Gpn lactam

Phylogenetic relations in section Arachis based on seed protein profile

Seed protein profiles of nine diploid species (2n = 20), ten tetraploid accessions, two synthetic amphidiploids and two autotetraploids (2n = 40) were studied using SDS-polyacrylamide gel electrophoresis. While the general profiles suggested considerable homology among these taxa in spite of speciation and ploidy differences, appreciable genetic differences were present to support the existing genomic divisions and sub-divisions in the section Arachis. A high degree of relationship was indicated between the two diploid species (A. duranensis containing the A genome and A. batizocoi (ICG 8210) containing the B genome) and tetraploids A. monticola/A. hypogaea (2n = 40) containing AABB genome. Similar relationships were recorded between the AABB synthetic amphidiploid and the profile obtained from the mixture of protein of A. duranensis and A. batizocoi, suggesting that these two diploid species were the donors of the A and B genome, respectively, to tetraploid A. monticola/A. hypogaea

Au/TiO2(110) interfacial reconstruction stability from ab initio

We determine the stability and properties of interfaces of low-index Au surfaces adhered to TiO2(110), using density functional theory energy density calculations. We consider Au(100) and Au(111) epitaxies on rutile TiO2(110) surface, as observed in experiments. For each epitaxy, we consider several different interfaces: Au(111)//TiO2(110) and Au(100)//TiO2(110), with and without bridging oxygen, Au(111) on 1x2 added-row TiO2(110) reconstruction, and Au(111) on a proposed 1x2 TiO reconstruction. The density functional theory energy density method computes the energy changes on each of the atoms while forming the interface, and evaluates the work of adhesion to determine the equilibrium interfacial structure.Comment: 20 pages, 11 figure

Integration of novel SSR and gene-based SNP marker loci in the chickpea genetic map and establishment of new anchor points with Medicago truncatula genome

This study presents the development and mapping of simple sequence repeat (SSR) and single nucleotide polymorphism (SNP) markers in chickpea. The mapping population is based on an inter-specific cross between domesticated and non-domesticated genotypes of chickpea (Cicer arietinum ICC 4958 × C. reticulatum PI 489777). This same population has been the focus of previous studies, permitting integration of new and legacy genetic markers into a single genetic map. We report a set of 311 novel SSR markers (designated ICCM—ICRISAT chickpea microsatellite), obtained from an SSR-enriched genomic library of ICC 4958. Screening of these SSR markers on a diverse panel of 48 chickpea accessions provided 147 polymorphic markers with 2–21 alleles and polymorphic information content value 0.04–0.92. Fifty-two of these markers were polymorphic between parental genotypes of the inter-specific population. We also analyzed 233 previously published (H-series) SSR markers that provided another set of 52 polymorphic markers. An additional 71 gene-based SNP markers were developed from transcript sequences that are highly conserved between chickpea and its near relative Medicago truncatula. By using these three approaches, 175 new marker loci along with 407 previously reported marker loci were integrated to yield an improved genetic map of chickpea. The integrated map contains 521 loci organized into eight linkage groups that span 2,602 cM, with an average inter-marker distance of 4.99 cM. Gene-based markers provide anchor points for comparing the genomes of Medicago and chickpea, and reveal extended synteny between these two species. The combined set of genetic markers and their integration into an improved genetic map should facilitate chickpea genetics and breeding, as well as translational studies between chickpea and Medicago