Additional file 1 of A robust and stable gene selection algorithm based on graph theory and machine learning

Additional file 1. Detailed biological and performance analyses

[2]Pseudorotaxane Composed of Heteroditopic Macrobicycle and Pyridine <i>N</i>‑Oxide Based Axle: Recognition Site Dependent Axle Orientation

A strategy for threading an axle having a hydrogen bond acceptor unit in the cavity of a <i>C</i>_3<i>v</i> symmetric amido-amine macrobicycle is investigated. The macrobicycle acts as a wheel in its neutral as well as triprotonated states to form threaded architectures with a pyridine <i>N</i>-oxide derivative. The negative oxygen dipole of the axle is capable of [2]­pseudorotaxane formation in two different orientations with the wheel in its neutral and triprotonated states

Influence of strategic inventory on the equilibrium of two competing supply chains

In this article, the influence of using strategic inventory and forming collusion between upstream manufacturers and downstream retailers is studied when two competing supply chains offer substitutable products in a common market through exclusive retailers. The optimal pricing decisions are explored in five different scenarios. It is found that with a specific limit of holding cost, the retailer can carry inventory strategically for the benefit of each member when upstream manufacturers have a first-mover advantage. Two-period planning can outperform a single-period decision. However, if two downstream retailers form collusion and uphold strategic inventory, the profit share of upstream manufacturers can reduce considerably, but the sales volume of both supply chains increased. In that circumstance, retailers rely upon more strategic inventory, and manufacturers need to drop their respective wholesale prices considerably in the second period. A long-term wholesale price commitment contract is used to safeguard the interest of upstream manufacturers. We find that the proposed mechanism can improve the performance of all the members. Numerical experiments provide valuable managerial insights regarding the supply chain members’ strategic decisions under competition.</p

Graph showing the effect on total and specific activities of different tegumental enzymes of <i>Raillietina</i> spp. treated with crude extract and fractions of <i>Holarrhena pubescens</i>.

C- Control, PZ- Praziquantel treated, ECE- Ethanolic crude extract treated, EAF- Ethyl acetate fraction treated.</p

Synthesis of a Preorganized Hybrid Macrobicycle with Distinct Amide and Amine Clefts: Tetrahedral versus Spherical Anions Binding Studies

A new <i>C</i>_3<i>v</i> symmetric amido-amine hybrid macrobicycle, <b>L</b> is synthesized toward anion recognition in its protonated states. <b>L</b> contains tri-amide and tetra-amine clefts separated by <i>p</i>-phenylene spacers. The solid-state structure of methanol-encapsulated <b>L</b> exhibits an overall cavity length of ∼12.0 Å where the amide and amine -NH protons are converged toward the center of the respective cavities. Conformational analysis of <b>L</b> in solution is established by NOESY NMR. Anion binding of [H₃<b>L</b>]³⁺ with spherical (Cl^–, Br^–, I^–) and tetrahedral (ClO₄^–, SO₄^2–) anions are carried out by isothermal titration calorimeter in dimethylsulfoxide. The association of halides with [H₃<b>L</b>]³⁺ is endothermic and entropy driven. However, association of tetrahedral anions is exothermic in nature and both entropy- and enthalpy-driven. The overall association constants show the following order: HSO₄^– > Br^–> Cl^– ≈ ClO₄^–. Single crystal X-ray structures of ClO₄^– and Br^– complexes of protonated <b>L</b> show encapsulation of ClO₄^– in the amide cleft of [H₂<b>L</b>]²⁺ (complex <b>1</b>) and encapsulation of Br^– in the ammonium cleft of [H₃<b>L</b>]³⁺ (complex <b>2</b>). Further, preorganization of <b>L</b> toward encapsulation of spherical and tetrahedral anions is established by comparing its amide, amine, and overall cavity dimensions with <b>1</b> and <b>2</b>

Data for biochemical analysis of enzyme activity- 5’ Nucleotidase and ATPase.

Data for biochemical analysis of enzyme activity- 5’ Nucleotidase and ATPase.</p

[2]Rotaxane with Multiple Functional Groups

High-yield syntheses of Cu­(II)- and Ni­(II)-templated [2]­pseudorotaxane precursors (CuPRT and NiPRT, respectively) were achieved by threading bis­(azide)­bis­(amide)-2,2′-bipyridine axle into a bis­(amide)­tris­(amine) macrocycle. Single-crystal X-ray structural analysis of CuPRT revealed complete threading of the axle fragment into the wheel cavity, where strong aromatic π–π stacking interactions between two parallel arene moieties of the wheel and the pyridyl unit of axle are operative in addition to metal ion templation. Attachment of a newly developed bulky stopper molecule with a terminal alkyne to CuPRT via a Cu­(I)-catalyzed azide–alkyne cycloaddition reaction failed as a result of dethreading of the azide-terminated axle under the reaction conditions. However, the synthesis of a metal-free [2]­rotaxane containing triazole with other functionalities in the axle was achieved in ∼45% yield upon coupling between azide-terminated NiPRT and the alkyne-terminated stopper. The [2]­rotaxane was characterized by mass spectrometry, 1D and 2D NMR (COSY, DOSY, and ROESY) experiments. Comparative solution-state NMR studies of the [2]­rotaxane in its unprotonated and protonated states were carried out to locate the position of the wheel on the axle of the metal-free [2]­rotaxane. Furthermore, a variable-temperature ¹H NMR study in DMSO-<i>d</i>₆ of [2]­rotaxane supported the kinetic inertness of the interlocked structure, where the newly developed stopper prevents dethreading of the 30-membered wheel from the axle

Fig 5 -

Histochemical evidence of AcPase (a—d) and AlkPase (e—h) activity in Raillietina spp., T-Tegument, ST -Subtegument, SM-Somatic musculature, P-Parenchyma, (a, e). Control, (b, f) Praziquantel, (c, g) Crude extract (d, h) Ethyl acetate fraction treated (All scale bars = 50 μm).</p

Fig 4 -

Transmission electron microscopy images of sections of Control (a, e), Praziquantel treated (b, f), Ethanolic crude extract (c, g) Ethyl acetate fraction (d, h) treated Raillietina spp showing nucleus (N), nucleolus (NL) and nuclear membrane (NM) and mitochondria (M); Scale bars = 0.5 μm (a—d) and 0.2 μm (e—h).</p

Results of efficacy testing of ethanolic crude extract of <i>Holarrhena pubescens</i> and its fractions against <i>Raillietina</i> spp.

Results of efficacy testing of ethanolic crude extract of Holarrhena pubescens and its fractions against Raillietina spp.</p