spartan’ 10 version 1.1.0 (Wavefunction inc)
90
Structured Review
Wavefunction inc
spartan’ 10 version 1.1.0
Spartan’ 10 Version 1.1.0, supplied by Wavefunction inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/spartan%E2%80%9910+version+1%2E1%2E0/spartan%E2%80%99+10+version+1+1+0/pm39800501-79-21-23
Average 90 stars, based on 1 article reviews
Spartan’ 10 Version 1.1.0, supplied by Wavefunction inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/spartan%E2%80%9910+version+1%2E1%2E0/spartan%E2%80%99+10+version+1+1+0/pm39800501-79-21-23
Average 90 stars, based on 1 article reviews
spartan’ 10 version 1.1.0 - by Bioz Stars,
2026-09
90/100 stars
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Generated:Article Title: Design criteria for polyazine extractants to separate An(III) from Ln(III.). Article Snippet: Although polyazine extractants have been extensively studied as agents for partitioning trivalent actinides from lanthanides, an explanation for why certain azine compositions succeed and others fail is lacking.. To address this issue, density functional theory calculations were used to evaluate fundamental properties (intrinsic binding affinity for a representative trivalent f-block metal, basicity, and hardness) for prototype azine donors pyridine, pyridazine, pyrimidine, pyrazine, 1,2,3-triazine, 1,2,4-triazine, and 1,3,5-triazine, as well as perform conformational analyses of bisazine chelates formed by directly connecting two donors together.. The results provide criteria that both rationalize the behavior of known extractants, TERPY, TPTZ, hemi-BTP, BTP, BTBP, and BTPhen, and predict a new class of extractants based on pyridazine donor groups. Article Title: Polysaccharide-based chiral stationary phases as halogen bond acceptors: A novel strategy for detection of stereoselective σ-hole bonds in solution. Article Snippet: 2.3 Computational details For 4,4’-bipyridines geometry optimization and computation of electrostatic potential surfaces (EPSs) and related parameters (EP values are given in kJ/mol) were performed and graphically generated using the Article Title: Targeted Isolation of Anti-inflammatory Lignans from Justicia aequilabris by Molecular Networking Approach. Article Snippet: Herein, the isolation of secondary metabolites from the aerial parts of Justicia aequilabris guided by HPLC-MSn and molecular networking analyses is reported.. Twenty-two known compounds were dereplicated.. Three new lignans (aequilabrines A− C (1−3)) and three known compounds (lariciresinol-4′-O-β-glucose (4), roseoside (5), and allantoin (6)) were obtained. Article Title: Catalytic, asymmetric, and stereodivergent synthesis of non-symmetric β,β-diaryl-α-amino acids. Article Snippet: We report a concise, enantioand diastereoselective route to novel nonsymmetrically substituted N-protected β,β-diaryl-α-amino acids and esters, through the asymmetric hydrogenation of tetrasubstituted olefins, some of the most challenging examples in the field.. Stereoselective generation of an Eor Z-enol tosylate, when combined with stereoretentive Suzuki-Miyaura cross-coupling and enantioselective hydrogenation catalyzed by (NBD)2RhBF4 and a Josiphos ligand, allows for full control over the two vicinal stereogenic centers.. High yields and excellent enantioselectivities (up to 99% ee) were obtained for a variety of N-acetyl, N-methoxycarbonyl, and N-Boc β,β-diaryldehydroamino acids, containing a diverse and previously unreported series of heterocyclic and aryl substituted groups (24 examples) and allowing access to all four stereoisomers of these valuable building blocks. Functional Assay:Article Title: Design criteria for polyazine extractants to separate An(III) from Ln(III.). Article Snippet: Although polyazine extractants have been extensively studied as agents for partitioning trivalent actinides from lanthanides, an explanation for why certain azine compositions succeed and others fail is lacking.. To address this issue, density functional theory calculations were used to evaluate fundamental properties (intrinsic binding affinity for a representative trivalent f-block metal, basicity, and hardness) for prototype azine donors pyridine, pyridazine, pyrimidine, pyrazine, 1,2,3-triazine, 1,2,4-triazine, and 1,3,5-triazine, as well as perform conformational analyses of bisazine chelates formed by directly connecting two donors together.. The results provide criteria that both rationalize the behavior of known extractants, TERPY, TPTZ, hemi-BTP, BTP, BTBP, and BTPhen, and predict a new class of extractants based on pyridazine donor groups. Article Title: Polysaccharide-based chiral stationary phases as halogen bond acceptors: A novel strategy for detection of stereoselective σ-hole bonds in solution. Article Snippet: 2.3 Computational details For 4,4’-bipyridines geometry optimization and computation of electrostatic potential surfaces (EPSs) and related parameters (EP values are given in kJ/mol) were performed and graphically generated using the Article Title: Targeted Isolation of Anti-inflammatory Lignans from Justicia aequilabris by Molecular Networking Approach. Article Snippet: Herein, the isolation of secondary metabolites from the aerial parts of Justicia aequilabris guided by HPLC-MSn and molecular networking analyses is reported.. Twenty-two known compounds were dereplicated.. Three new lignans (aequilabrines A− C (1−3)) and three known compounds (lariciresinol-4′-O-β-glucose (4), roseoside (5), and allantoin (6)) were obtained. Article Title: Catalytic, asymmetric, and stereodivergent synthesis of non-symmetric β,β-diaryl-α-amino acids. Article Snippet: We report a concise, enantioand diastereoselective route to novel nonsymmetrically substituted N-protected β,β-diaryl-α-amino acids and esters, through the asymmetric hydrogenation of tetrasubstituted olefins, some of the most challenging examples in the field.. Stereoselective generation of an Eor Z-enol tosylate, when combined with stereoretentive Suzuki-Miyaura cross-coupling and enantioselective hydrogenation catalyzed by (NBD)2RhBF4 and a Josiphos ligand, allows for full control over the two vicinal stereogenic centers.. High yields and excellent enantioselectivities (up to 99% ee) were obtained for a variety of N-acetyl, N-methoxycarbonyl, and N-Boc β,β-diaryldehydroamino acids, containing a diverse and previously unreported series of heterocyclic and aryl substituted groups (24 examples) and allowing access to all four stereoisomers of these valuable building blocks. |