☆ 4.6 Article

Antibactericidal Ir(III) and Ru(II) Complexes with Phosphine-Alkaloid Conjugate and Their Interactions with Biomolecules: A Case of N-Methylphenethylamine

CHEMISTRY-A EUROPEAN JOURNAL (2023)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Biochemistry & Molecular Biology

Mitochondrial targeting half-sandwich iridium(III) and ruthenium(II) dppf complexes and in vitro anticancer assay

Jinfeng Liu et al.

Summary: In this study, four half-sandwich iridium(III) (IrIII) and ruthenium(II) (RuII) diphenylphosphino ferro-cene (dppf) complexes with potential applications in anticancer were prepared. These complexes exhibited favorable anti-proliferation activity against A549 cell lines and inhibited cell migration effectively compared to cisplatin. They were taken up by cells through an energy dependence mechanism, accumulated in mitochondria, disrupted mitochondrial membrane potential, induced reactive oxygen species production, disrupted cell cycle, and ultimately led to apoptosis. Western blot assay confirmed that these complexes induced apoptosis through a mitochondrial pathway. Overall, half-sandwich IrIII and RuII dppf complexes show promise as a new multifunctional therapeutic platform for mitochondrial targeted imaging and anticancer drugs.

JOURNAL OF INORGANIC BIOCHEMISTRY (2023)

添加到收藏夹

Article Chemistry, Multidisciplinary

Inter-Network Charge-Transfer Excited State Formation Within a Two-fold Catenated Metal-Organic Framework

Akashdeep Nath et al.

Summary: This study reports a two-fold catenated crystalline metal-organic framework (MOF) with a relatively long-lived charge-transfer excited state (CTES), and explores the dynamics and applications of CTES in photocatalysis.

CHEMISTRY-A EUROPEAN JOURNAL (2023)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Study of versatile coordination modes, antibacterial and radical scavenging activities of arene ruthenium, rhodium and iridium complexes containing fluorenone based thiosemicarbazones

Carley Giffert L. Nongpiur et al.

Summary: Metal complexes were synthesized using thiosemicarbazone derivative ligands and halide-bridged metal precursors, showing significant antibacterial and antioxidant activities. The molecular structures were determined, and the binding of ligands with biomolecules was investigated, providing insights into their mechanisms of action.

JOURNAL OF ORGANOMETALLIC CHEMISTRY (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Theoretical Studies on the Photophysical Properties of the Ag(I) Complex for Thermally Activated Delayed Fluorescence Based on TD-DFT and Path Integral Dynamic Approaches

LingLing Lv et al.

Summary: Theoretical calculations were used to quantitatively investigate the thermally activated delayed fluorescence (TADF) process of the Ag(dbp)(P-2-nCB) complex. The calculated results were consistent with experimental observations and provided valuable information for improving and designing efficient TADF materials.

ACS OMEGA (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Software update: The ORCA program system-Version 5.0

Frank Neese

Summary: The latest version 5.0 of the ORCA quantum chemistry program suite represents a significant improvement in performance, numerical robustness, functionality, and user friendliness.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2022)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Formation of Iridium(III) and Rhodium(III) Amine, Imine, and Amido Complexes Based on Pyridine-Amine Ligands: Structural Diversity Arising from Reaction Conditions, Substituent Variation, and Metal Centers

Xueyan Hu et al.

Summary: In this study, we investigated the coordination modes of half-sandwich iridium(III) and rhodium(III) complexes based on pyridine-amine ligands. By varying the reaction conditions and the structure of the metal and ligand, we obtained different coordination modes. We found that reaction in the presence of oxygen yielded oxidized pyridyl-imine complexes, and the introduction of bulky groups led to the formation of stable 16-electron pyridyl-amido complexes. The stability in aqueous solution and cytotoxicity towards human cancer cells were also evaluated.

INORGANIC CHEMISTRY (2022)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Synthesis, structural studies, interaction with DNA/HSA and antitumor evaluation of new Cu(II) complexes containing 2-(1H-imidazol-2-yl) pyridine and amino acids

Dai-Hong Cai et al.

Summary: Copper complexes show potential as anticancer agents, with three new Cu(II) complexes exhibiting good antiproliferative activity against various cancer cells and DNA oxidative cleavage. The complexes also display strong binding affinity with DNA and human serum albumin. Through inducing DNA damage and ROS-mediated mitochondrial dysfunction, the Cu(II) complexes lead to cancer cell apoptosis.

DALTON TRANSACTIONS (2022)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

DNA binding, antitubercular, antibacterial and anticancer studies of newly designed piano-stool ruthenium(ii) complexes

Govinda Navale et al.

Summary: This study reports the DNA binding and antitubercular, antibacterial, and anticancer activities of two novel ruthenium complexes. The results show that these complexes exhibit good antitubercular and antibacterial activities, and demonstrate promising activity against cancer cells.

DALTON TRANSACTIONS (2022)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Inert cationic iridium(III) complexes with phenanthroline-based ligands: application in antimicrobial inactivation of muttidrug-resistant bacterial strains

Natalia Busto et al.

Summary: This study found that a new series of heteroleptic iridium(III) complexes showed remarkable effectiveness against Gram positive strains, especially Ir1 and Ir2, which were even 10 times more active than the fluoroquinolone antibiotic norfioxacin. The antimicrobial activity of these complexes is achieved by inducing ROS generation.

DALTON TRANSACTIONS (2022)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Anticancer half-sandwich Ir(III) complex and its interaction with various biomolecules and their mixtures - a case study with ascorbic acid

Lukas Masaryk et al.

Summary: The study investigated the interactions of newly developed metallodrugs with various biomolecules, revealing the reduction and oxidation reactions of azo bonds in the presence of certain biologically relevant molecules. The complexation of the metallodrugs played a crucial role in facilitating these redox reactions, shedding light on the mechanisms of action in extracellular and intracellular environments.

INORGANIC CHEMISTRY FRONTIERS (2022)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Synthesis, physicochemical characterization and antiproliferative activity of phosphino Ru(II) and Ir(III) complexes

Urszula K. Komarnicka et al.

Summary: In this study, new complexes based on ruthenium(II) and iridium(III) with phosphine ligands and phenyl rings with/without methoxy motifs were synthesized and characterized. The complexes showed high catalytic efficiency in the oxidation of NADH to NAD(+) and exhibited potential applications in biological and medical fields. Furthermore, they demonstrated redox activity and significant cytotoxicity against various cancer cell lines.

DALTON TRANSACTIONS (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Ruthenium, rhodium and iridium complexes containing diazafluorene derivative ligands: synthesis and biological studies

Carley Giffert L. Nongpiur et al.

Summary: In this study, cationic complexes [(arene)MLC1]PF6 were successfully synthesized by reacting [(arene)MCl2](2) with bidentate 4, 5-diazafluorene-9-one (dafo) and derived Schiff-base ligands. These complexes were characterized and analyzed by various spectroscopic and analytical techniques. X-ray crystallographic studies were conducted on complexes 1-3 to determine their structures. Furthermore, antibacterial and antioxidant experiments were carried out to evaluate the biological activities of these complexes.

JOURNAL OF CHEMICAL SCIENCES (2022)

添加到收藏夹

Review Oncology

Cancer catecholamine conundrum

H. Wackerhage et al.

Summary: This paragraph discusses the effects of exercise, psychosocial stress, and drugs on catecholamine concentrations and adrenergic signaling. While exercise studies suggest that catecholamines inhibit cancer, stress studies often report the opposite, and beta-blocker studies show varied effects. The variable effects may be due to the expression of different adrenergic receptor isoforms and the impact of catecholamines on cancer, immune, or endothelial cells. Future research should aim to understand the mechanisms behind these variable effects and utilize them for the benefit of cancer patients.

TRENDS IN CANCER (2022)

添加到收藏夹

Article Chemistry, Medicinal

Interaction between DNA, Albumin and Apo-Transferrin and Iridium(III) Complexes with Phosphines Derived from Fluoroquinolones as a Potent Anticancer Drug

Sandra Amanda Koziel et al.

Summary: A group of cytotoxic half-sandwich iridium(III) complexes derived from fluoroquinolone antibiotics exhibit various effects on cells, including accumulation in the nucleus, induction of apoptosis, activation of caspase-3/7 activity, induction of cell cycle changes leading to G2/M phase arrest, and radicals generation. Through experiments and molecular docking studies, it was found that these complexes interact with DNA by moderate intercalation and minor groove binding, as well as with serum proteins such as HSA and apo-Tf. The binding modes of these complexes with DNA and proteins were elucidated, providing insights into their cytotoxic effects.

PHARMACEUTICALS (2021)

添加到收藏夹

Article Chemistry, Physical

Intermolecular interaction characteristics of the all-carboatomic ring, cyclo[18]carbon: Focusing on molecular adsorption and stacking

Zeyu Liu et al.

Summary: The research found that cyclo[18]carbon has a strong tendency to adsorb small molecules in its condensed phase, where dispersion attraction plays a leading role in binding interactions and the electrostatic effect also influences the configuration of molecular complexes. Additionally, two cyclo[18]carbon molecules can form a stable dimer through pi-pi stacking effect.

CARBON (2021)

添加到收藏夹

Review Chemistry, Multidisciplinary

Coordination Complexes to Combat Bacterial Infections: Recent Developments, Current Directions and Future Opportunities

Apurva Pandey et al.

Summary: Medicinal chemists have been working on the efficient eradication of life-threatening bacterial infections for several decades, especially in response to the emergence of multi-drug resistance of pathogenic bacteria. With better understanding of nutrient acquisition and metabolism at the host-pathogen interface, new drug targets are emerging, including processes related to metal homeostasis. Opportunities for medicinal inorganic chemists to selectively alter or disrupt these processes for bacteriostatic or bacteriotoxic effects are being explored.

CHEMISTRY-A EUROPEAN JOURNAL (2021)

添加到收藏夹

Review Chemistry, Inorganic & Nuclear

Synthetic protocols and applications of copper(I) phosphine and copper(I) phosphine/diimine complexes

Bandar A. Babgi

Summary: This article discusses the synthetic strategies for accessing mononuclear and binuclear homoleptic copper(I)-phosphine complexes, as well as the synthetic protocols for obtaining mononuclear and binuclear heteroleptic copper(I)-phosphine complexes containing halides, pseudo halides, and/or N-containing ligands, emphasizing the influence of ligands on the geometrical structure of copper(I).

JOURNAL OF ORGANOMETALLIC CHEMISTRY (2021)

添加到收藏夹

Review Pharmacology & Pharmacy

Update and New Insights on Future Cancer Drug Candidates From Plant-Based Alkaloids

Mounir Tilaoui et al.

Summary: Cancer is a complex disease that can develop resistance to conventional drugs, leading to tumor relapse. Plant-based alkaloids have been researched as potential anticancer agents, showing promising results in cancer treatment within the past few years.

FRONTIERS IN PHARMACOLOGY (2021)

添加到收藏夹

Review Engineering, Biomedical

Antibacterial approaches in tissue engineering using metal ions and nanoparticles: From mechanisms to applications

Maria Godoy-Gallardo et al.

Summary: Bacterial infection of implanted scaffolds is a serious threat, especially with the rise of multidrug resistance. Metal ions and ion nanoparticles have shown potential in reducing or eliminating bacteria through mechanisms like oxidative stress induction and disruption of biomolecules. Combining different metal ions and nanoparticles can lead to synergistic effects and improved microbial killing, with reduced potential side effects to the host.

BIOACTIVE MATERIALS (2021)

添加到收藏夹

Review Infectious Diseases

Research Progress on Antibacterial Activities and Mechanisms of Natural Alkaloids: A Review

Yumei Yan et al.

Summary: Alkaloids are nitrogen-containing heterocyclic compounds isolated mainly from plants. They exhibit diverse antibacterial activities by inhibiting bacterial cell wall synthesis, changing cell membrane permeability, inhibiting bacterial metabolism, and blocking nucleic acid and protein synthesis. These natural products represent a potential new source for developing antibiotics to combat drug-resistant bacterial infections.

ANTIBIOTICS-BASEL (2021)

添加到收藏夹

Review Chemistry, Inorganic & Nuclear

Monodentately-coordinated bioactive moieties in multimodal half-sandwich organoruthenium anticancer agents

Tasha R. Steel et al.

Summary: Metallodrugs play a central role in the treatment and diagnosis of diseases, and the choice of ligands coordinated to the metal center is crucial for the biological activity of metal-based anticancer agents. Introducing bioactive ligands may lead to synergistic activity between the metal center and the ligand system, and Ru half-sandwich compounds are a promising class of anticancer agents that have been extensively studied.

COORDINATION CHEMISTRY REVIEWS (2021)

添加到收藏夹

Review Pharmacology & Pharmacy

Ruthenium Complexes in the Fight against Pathogenic Microorganisms. An Extensive Review

Alexandra-Cristina Munteanu et al.

Summary: The widespread use of antibiotics has led to the emergence of drug-resistant microorganism populations, necessitating the development of new metal complexes as more effective antimicrobial agents. Ru (II/III) complexes show promise as anticancer drugs and are also being explored for use as antibiotics, antifungals, antiparasitics, or antivirals. This review discusses the advantages and disadvantages of Ru (II/III) frameworks as antimicrobial agents.

PHARMACEUTICS (2021)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Preparation and antitumor application of N-phenylcarbazole/triphenylamine-modified fluorescent half-sandwich iridium(iii) Schiff base complexes

Liyan Wang et al.

Summary: The half-sandwich iridium(III) salicylaldehyde Schiff base complexes exhibited similar antitumor activity to cisplatin, inducing lysosomal damage, increasing intracellular ROS, and leading to apoptosis. Additionally, they effectively accumulated in lysosomes and caused lysosomal damage.

DALTON TRANSACTIONS (2021)

添加到收藏夹

Article Chemistry, Physical

Efficient evaluation of electrostatic potential with computerized optimized code

Jun Zhang et al.

Summary: An efficient algorithm for evaluating ESP was proposed, which showed comparable or better performance than some state-of-the-art codes for systems like dopamine and remdesivir. The algorithm exhibited good parallelization scaling and was able to evaluate ESP for a system with 4840 GTOs and 259,262 ESP points in 1874 seconds on ordinary hardware.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Dual emission from an iridium(III) complex/counter anion ion pair

Wataru Ito et al.

Summary: The complex [Ir(tpy)(2)](PF6)(3) exhibited dual color luminescent emission in CH3CN, with blue and green emissions attributed to cation and ion pair emissions, supported by TD-DFT calculations. On the other hand, [Ir(tpy)(2)]I-3 in CH3CN showed emissions solely from the cation, while crystalline [Ir(tpy)(2)]I-3 exhibited red luminescence inconsistent with cation emissions, with TD-DFT calculations supporting a charge-transfer transition hypothesis.

DALTON TRANSACTIONS (2021)

添加到收藏夹

Article Chemistry, Medicinal

Practical High-Quality Electrostatic Potential Surfaces for Drug Discovery Using a Graph-Convolutional Deep Neural Network

Prakash Chandra Rathi et al.

JOURNAL OF MEDICINAL CHEMISTRY (2020)

添加到收藏夹

Article Chemistry, Medicinal

Trans-Pd/Pt(II) saccharinate complexes with a phosphine ligand: Synthesis, cytotoxicity and structure-activity relationship

Ceyda Icsel et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2020)

添加到收藏夹

Article Chemistry, Physical

The ORCA quantum chemistry program package

Frank Neese et al.

JOURNAL OF CHEMICAL PHYSICS (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

All-electron scalar relativistic basis sets for the elements Rb-Xe

Julian D. Rolfes et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2020)

添加到收藏夹

Review Chemistry, Medicinal

Nuclear and Cytoplasmic Functions of Vitamin C

Anatoly Zhitkovich

CHEMICAL RESEARCH IN TOXICOLOGY (2020)

添加到收藏夹

Article Biochemistry & Molecular Biology

Antibacterial activity and action mode of Cu(I) and Cu(II) complexes with phosphines derived from fluoroquinolone against clinical and multidrug-resistant bacterial strains

Katarzyna Guz-Regner et al.

JOURNAL OF INORGANIC BIOCHEMISTRY (2020)

添加到收藏夹

Review Immunology

Adrenergic regulation of immune cell function and inflammation

Drashya Sharma et al.

SEMINARS IN IMMUNOPATHOLOGY (2020)

添加到收藏夹

Article Chemistry, Organic

Photodelivery of β-phenylethylamines

Sumin Lee et al.

ORGANIC & BIOMOLECULAR CHEMISTRY (2020)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Anticancer potency of novel organometallic Ir(iii) complexes with phosphine derivatives of fluoroquinolones encapsulated in polymeric micelles

Sandra Koziel et al.

INORGANIC CHEMISTRY FRONTIERS (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Mononuclear ruthenium(ii) theranostic complexes that function as broad-spectrum antimicrobials in therapeutically resistant pathogens through interaction with DNA

Kirsty L. Smitten et al.

CHEMICAL SCIENCE (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Ligand-centred redox activation of inert organoiridium anticancer catalysts

Wen-Ying Zhang et al.

CHEMICAL SCIENCE (2020)

添加到收藏夹

Review Chemistry, Medicinal

Potential Anticancer Activity of Auranofin

Takefumi Onodera et al.

CHEMICAL & PHARMACEUTICAL BULLETIN (2019)

添加到收藏夹

Article Chemistry, Medicinal

Design, synthesis, and evaluation of fluorine and Naphthyridine-Based half-sandwich organoiridium/ruthenium complexes with bioimaging and anticancer activity

JuanJuan Li et al.

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2019)

添加到收藏夹

Article Chemistry, Medicinal

Electrostatic Complementarity as a Fast and Effective Tool to Optimize Binding and Selectivity of Protein-Ligand Complexes

Matthias R. Bauer et al.

JOURNAL OF MEDICINAL CHEMISTRY (2019)

添加到收藏夹

Review Chemistry, Multidisciplinary

Anticancer and Antibacterial Activity of Transition Metal Complexes

Sondavid K. Nandanwar et al.

CHEMISTRYSELECT (2019)

添加到收藏夹

Review Pharmacology & Pharmacy

Alkaloids for cancer prevention and therapy: Current progress and future perspectives

Arijit Mondal et al.

EUROPEAN JOURNAL OF PHARMACOLOGY (2019)

添加到收藏夹

Article Biochemistry & Molecular Biology

Structure and redox stability of [Au(III)(XNX)PR3] complexes (X = C or N) in aqueous solution: The role of phosphine auxiliary ligand

Giset Y. Sanchez Delgado et al.

JOURNAL OF INORGANIC BIOCHEMISTRY (2019)

添加到收藏夹

Article Biochemical Research Methods

A Regulatory NADH/NAD plus Redox Biosensor for Bacteria

Yang Liu et al.

ACS SYNTHETIC BIOLOGY (2019)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Cytotoxic RuII-p-cymene complexes of an anthraimidazoledione: halide dependent solution stability, reactivity and resistance to hypoxia deactivation

Amrita Sarkar et al.

DALTON TRANSACTIONS (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

DNA/lysozyme binding propensity and nuclease properties of benzimidazole/2,2′-bipyridine based binuclear ternary transition metal complexes

Ahmed M. Mansour et al.

RSC ADVANCES (2019)

添加到收藏夹

Review Chemistry, Medicinal

Genetic Mechanisms of Antibiotic Resistance and the Role of Antibiotic Adjuvants

Daniela Santos Pontes et al.

CURRENT TOPICS IN MEDICINAL CHEMISTRY (2018)

添加到收藏夹

Article Chemistry, Medicinal

Biguanide Iridium(III) Complexes with Potent Antimicrobial Activity

Feng Chen et al.

JOURNAL OF MEDICINAL CHEMISTRY (2018)

添加到收藏夹

Article Chemistry, Physical

Conformation-dependent phosphorescence emission of individual mononuclear ruthenium-(II)-bis-terpyridine complexes

Tobias Koch et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Half-Sandwich Iridium and Ruthenium Complexes: Effective Tracking in Cells and Anticancer Studies

JuanJuan Li et al.

INORGANIC CHEMISTRY (2018)

添加到收藏夹

Article Chemistry, Organic

[(η5-pentamethylcyclopentadienyl)(3-fluoro-N-methylbenzylamine-κ1,N)dichlorido]iridium(III)

Deliang Kong et al.

MOLBANK (2018)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Novel half-sandwich iridium(III) imino-pyridyl complexes showing remarkable in vitro anticancer activity

JuanJuan Li et al.

DALTON TRANSACTIONS (2017)

添加到收藏夹

Article Biochemistry & Molecular Biology

Synthesis, characterization, antiproliferative and molecular docking study of new half sandwich Ir(III), Rh(III) and Ru(II) complexes

Saravanan Thangavel et al.

JOURNAL OF INORGANIC BIOCHEMISTRY (2016)

添加到收藏夹

Article Chemistry, Medicinal

Antibacterial activity of ruthenium(II) polypyridyl complex manipulated by membrane permeability and cell morphology

Dongdong Sun et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2015)

添加到收藏夹

Article Chemistry, Physical

Theoretical Characterisation of Phosphinyl Radicals and Their Magnetic Properties: g Matrix

Maciej Witwicki

CHEMPHYSCHEM (2015)

添加到收藏夹

Review Chemistry, Multidisciplinary

Organic Electronic Materials: Recent Advances in the DFT Description of the Ground and Excited States Using Tuned Range-Separated Hybrid Functionals

Thomas Koerzdoerfer et al.

ACCOUNTS OF CHEMICAL RESEARCH (2014)

添加到收藏夹

Article Chemistry, Multidisciplinary

The Potent Oxidant Anticancer Activity of Organoiridium Catalysts

Zhe Liu et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)

添加到收藏夹

Article Chemistry, Multidisciplinary

Oxidation of ascorbic acid by a (salen)ruthenium(VI) nitrido complex in aqueous solution

Qian Wang et al.

CHEMICAL COMMUNICATIONS (2014)

添加到收藏夹

Article Chemistry, Applied

Studies on the nuclease activity and interactions of the mixed-polypyridyl [Ni2(1,3-tpbd)(diimine)2(H2O)2]4+ complexes with thioredoxin reductase

Dong-Dong Li et al.

APPLIED ORGANOMETALLIC CHEMISTRY (2013)

添加到收藏夹

Article Chemistry, Multidisciplinary

Organometallic Ruthenium and Iridium Transfer-Hydrogenation Catalysts Using Coenzyme NADH as a Cofactor

Soledad Betanzos-Lara et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)

添加到收藏夹

Article Chemistry, Multidisciplinary

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

添加到收藏夹

Article Biochemical Research Methods

Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm

Tian Lu et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2012)

添加到收藏夹

Article Chemistry, Multidisciplinary

The ORCA program system

Frank Neese

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

添加到收藏夹

Article Chemistry, Multidisciplinary

Effect of the Damping Function in Dispersion Corrected Density Functional Theory

Stefan Grimme et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)

添加到收藏夹

Article Chemistry, Medicinal

Organometallic Half-Sandwich Iridium Anticancer Complexes

Zhe Liu et al.

JOURNAL OF MEDICINAL CHEMISTRY (2011)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Organometallic Iridium(III) Cyclopentadienyl Anticancer Complexes Containing C,N-Chelating Ligands

Zhe Liu et al.

ORGANOMETALLICS (2011)

添加到收藏夹

Article Chemistry, Multidisciplinary

Synthesis and characterisation of the water soluble bis-phosphine complex [Ru(η6-cymene)(PPh2(o-C6H4O)-κ2-P,O)(pta)]+ and an investigation of its cytotoxic effects

Anna K. Renfrew et al.

COMPTES RENDUS CHIMIE (2010)

添加到收藏夹

Article Chemistry, Physical

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

添加到收藏夹

Review Pharmacology & Pharmacy

The vascular effects of trace amines and amphetamines

Kenneth J. Broadley

PHARMACOLOGY & THERAPEUTICS (2010)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Multispectroscopic DNA interaction studies of a water-soluble nickel(II) complex containing different dinitrogen aromatic ligands

Nahid Shahabadi et al.

TRANSITION METAL CHEMISTRY (2010)

添加到收藏夹

Article Chemistry, Physical

Efficient, approximate and parallel Hartree-Fock and hybrid DFT calculations. A 'chain-of-spheres' algorithm for the Hartree-Fock exchange

Frank Neese et al.

CHEMICAL PHYSICS (2009)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Kinetics and Mechanism of the Oxidation of Ascorbic Acid in Aqueous Solutions by a trans-Dioxoruthenium(VI) Complex

Yi-Ning Wang et al.

INORGANIC CHEMISTRY (2009)

添加到收藏夹

Review Chemistry, Physical

All-electron scalar relativistic basis sets for third-row transition metal atoms

Dimitrios A. Pantazis et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)

添加到收藏夹

Article Biochemistry & Molecular Biology

Stability of an organometallic ruthenium-ubiquitin adduct in the presence of glutathione: Relevance to antitumour activity

Christian G. Hartinger et al.

JOURNAL OF INORGANIC BIOCHEMISTRY (2008)

添加到收藏夹

Article Chemistry, Physical

Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections

Jeng-Da Chai et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)

添加到收藏夹

Article Multidisciplinary Sciences

Catalytic organometallic anticancer complexes

Sarah J. Dougan et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)

添加到收藏夹

Article Chemistry, Multidisciplinary

A third mode of DNA binding: Phosphate clamps by a polynuclear platinum complex

Seiji Komeda et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)

添加到收藏夹

Article Chemistry, Physical

Accurate Coulomb-fitting basis sets for H to Rn

F Weigend

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Characterization by NMR spectroscopy, X-ray analysis and cytotoxic activity of the ruthenium(II) compounds [RuL3](PF6)2 (L=2-phenylazopyridine or o-tolylazopyridine) and [RuL′2L](PF6)2 (L′, L=2-phenylazopyridine, 2,2′-bipyridine)

ACG Hotze et al.

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2005)

添加到收藏夹

Review Chemistry, Physical

Efficient and accurate approximations to the molecular spin-orbit coupling operator and their use in molecular g-tensor calculations -: art. no. 034107

F Neese

JOURNAL OF CHEMICAL PHYSICS (2005)

添加到收藏夹

Article Chemistry, Physical

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

F Weigend et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)

添加到收藏夹

Article Chemistry, Physical

A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

T Yanai et al.

CHEMICAL PHYSICS LETTERS (2004)

添加到收藏夹

Article Chemistry, Multidisciplinary

An improvement of the resolution of the identity approximation for the formation of the Coulomb matrix

F Neese

JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)

添加到收藏夹

Article Physics, Multidisciplinary

Climbing the density functional ladder: Nonempirical meta-generalized gradient approximation designed for molecules and solids

JM Tao et al.

PHYSICAL REVIEW LETTERS (2003)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.