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https://www.readbyqxmd.com/read/29667997/inductive-modulation-of-tris-phosphinomethyl-phenylborate-donation-at-group-vi-metals-via-borate-phenyl-substituent-modification
#1
Paul J Fischer, Shuruthi Senthil, Jeremy T Stephan, McKinley L Swift, Meghan D Storlie, Emily T Chan, Matthew V Vollmer, Victor G Young
A series of zerovalent group VI metal complexes of tris(diisopropylphosphinomethyl)phenylborate ([PhB(CH2PiPr2)3]-, PhBPiPr3), including [PPN][M(CO)3(PhBPiPr3)] (M = Cr, Mo, W) and the first bimetallics in which PhBPiPr3 serves as a bridging ligand via binding M(CO)3 units at the three phosphorus atoms and the borate phenyl substituent, have been synthesized and fully characterized. Two new tris(phosphinomethyl)borates featuring 3,5-dimethylphenyl and 3,5-bis(trifluoromethyl)phenyl borate substituents were prepared as crystallographically characterized thallium salts, and metallated giving their inaugural transition metal complexes [PPN][M(CO)3(((3,5-Me)C6H3)BPPh3)] and [PPN][M(CO)3(((3,5-CF3)C6H3)BPPh3)]...
April 18, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/29667407/the-enhanced-stability-of-pt-ml-m-ml-wc-0001-multilayer-alloys-under-electrochemical-conditions-a-first-principle-study
#2
Xiaoming Zhang, Tianwei Gu, Shaodong Shi, Leyi Li, Shansheng Yu
Pt monolayer catalyst could greatly reduce the use of platinum. However, the core or subsurface transition metal could easily segregate to the surface and eventually selectively dissolve in the working conditions. In this work, a type of PtML /MML /WC multi-layer structure catalyst has been designed using DFT method. The results show that the stability of W-terminated core catalysts is lower than that of the corresponding C-terminated one. More importantly, C-terminated PtML/CoML/WC alloy could also maintain a stable platinum monolayer structure in various electrolyte solutions (eg, perchloric acid, phosphoric acid, alkaline solutions) and via different ORR pathways, in addition to the previously well-known precious alloy elements, such as Ru, Ir, etc...
April 18, 2018: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29667357/revealing-the-double-edged-sword-role-of-graphene-on-boosted-charge-transfer-versus-active-site-control-in-tio-2-nanotube-arrays-rgo-mos-2-heterostructure
#3
Quan Quan, Shunji Xie, Bo Weng, Ye Wang, Yi-Jun Xu
Charge separation/transfer is generally believed to be the most key factor affecting the efficiency of photocatalysis, which however will be counteracted if not taking the active site engineering into account for a specific photoredox reaction. Here, a 3D heterostructure composite is designed consisting of MoS2 nanoplatelets decorated on reduced graphene oxide-wrapped TiO2 nanotube arrays (TNTAs@RGO/MoS2 ). Such a cascade configuration renders a directional migration of charge carriers and controlled immobilization of active sites, thereby showing much higher photoactivity for water splitting to H2 than binary TNTAs@RGO and TNTAs/MoS2 ...
April 18, 2018: Small
https://www.readbyqxmd.com/read/29667337/insights-into-the-n-heterocyclic-carbene-nhc-catalyzed-intramolecular-cyclization-of-aldimines-general-mechanism-and-role-of-catalyst
#4
Xue Li, Mingsheng Tang, Yanyan Wang, Yang Wang, Zhongjun Li, Ling-Bo Qu, Donghui Wei
One of the most challenging questions in the Lewis base organocatalyst field is how to predict the most electrophilic carbon for the complexation of N-heterocyclic carbene (NHC) and reactant. This study provides a valuable case for this issue. Multiple mechanisms (A, B, C, D and E) for the intramolecular cyclization of aldimine catalyzed by NHC were investigated using density functional theory (DFT). The computed results reveal that NHC energetically prefers attacking the iminyl carbon (AIC mode, which is associated with mechanisms A and C) rather than attacking the olefin carbon (AOC mode, which is associated with mechanisms B and D) or attacking the carbonyl carbon (ACC mode, which is associated with mechanism E) of aldimine...
April 17, 2018: Chemistry, An Asian Journal
https://www.readbyqxmd.com/read/29667165/ion-mobility-measurements-of-multianionic-metalloporphyrin-dimers-structural-changes-induced-by-countercation-exchange
#5
Erik Schneider, Katrina Brendle, Patrick Jäger, Patrick Weis, Manfred M Kappes
We present gas-phase structures of dimers of MnIII and FeIII meso-tetra(4-sulfonatophenyl)porphyrin multianions with various amounts of sodium and hydrogen counterions. The structural assignments are achieved by combining mass spectrometry, ion mobility measurements, quantum chemical calculations, and trajectory method collision cross section calculations. For a common charge state, we observe significant topological variations in the dimer structures of [(MTPPS)2 +nX](6-n)- (M=MnIII , FeIII ; X=H, Na; n = 1-3) induced by replacing hydrogen counterions by sodium...
April 17, 2018: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/29666849/a-rational-microstructure-design-of-sns-2-carbon-composites-for-superior-sodium-storage-performance
#6
Yi Zhao, Binbin Guo, Qianqian Yao, Jiaxin Li, Jianshuo Zhang, Kun Hou, Lunhui Guan
Sodium ion batteries (SIBs) have attracted ever-growing attention as promising candidates for large-scale energy storage applications, due to the abundant sodium resources and their low cost. Nevertheless, it is still a significant challenge to realize superior electrode materials with high capacity and good cyclability. To address these problems, herein, a rational microstructure of the SnS2-carbon composite has been designed for superior performance, which consists of MWNTs as a carbon matrix, the SnS2 nanosheet (NS) as an active material, the outer carbon coating as a protection layer, as well as the interior void space for volume accommodation...
April 18, 2018: Nanoscale
https://www.readbyqxmd.com/read/29666673/pan-cdk-inhibition-augments-cisplatin-lethality-in-nasopharyngeal-carcinoma-cell-lines-and-xenograft-models
#7
Nicholas L Syn, Pei Li Lim, Li Ren Kong, Lingzhi Wang, Andrea Li-Ann Wong, Chwee Ming Lim, Thomas Kwok Seng Loh, Gerhard Siemeister, Boon Cher Goh, Wen-Son Hsieh
In addition to their canonical roles in regulating cell cycle transition and transcription, cyclin-dependent kinases (CDKs) have been shown to coordinate DNA damage response pathways, suggesting a rational pairing of CDK inhibitors with genotoxic chemotherapeutic agents in the treatment of human malignancies. Here, we report that roniciclib (BAY1000394), a potent pan-CDK inhibitor, displays promising anti-neoplastic activity as a single agent and potentiates cisplatin lethality in preclinical nasopharyngeal carcinoma (NPC) models...
2018: Signal Transduction and Targeted Therapy
https://www.readbyqxmd.com/read/29666553/the-potential-of-component-resolved-diagnosis-in-laboratory-diagnostics-of-allergy
#8
REVIEW
Slavica Dodig, Ivana Čepelak
The initial laboratory approach in the diagnosis of allergies is to detect the type of allergic reaction, i.e. whether the patient's allergy is mediated by immunoglobulin E (IgE) or not. For this purpose, the concentration of total serum IgE (tIgE) and specific IgE (sIgE) are determined. Progress in laboratory diagnostics is the use of component-resolved diagnosis (CRD) which implies determination of sIgE against purified native and recombinant allergenic molecules. Component-resolved diagnosis is used in laboratory practice as singleplex and multiplex assays...
June 15, 2018: Biochemia Medica: časopis Hrvatskoga Društva Medicinskih Biokemičara
https://www.readbyqxmd.com/read/29666320/y-chromosome-polymorphisms-of-the-domestic-bactrian-camel-in-china
#9
Huiling Chen, Zhanjun Ren, Jiping Zhao, Chengdong Zhang, Xuejiao Yang
Single-nucleotide polymorphisms (SNPs), microsatellites and copy number variation (CNV) were studied on the Y chromosome to understand the paternal origin and phylogenetic relationships for resource protection, rational development and utilization of the domestic Bactrian camel in China. Our sample set consisted of 94 Chinese domestic Bactrian camels from four regions (Inner Mongolia, Gansu, Qinghai and Xinjiang), we screened 29 Y-chromosome-specific loci for SNPs, analysed 40 bovine-derived microsatellite loci and measured CNVs of HSFY and SRY through Sanger sequencing, automated fluorescence-based microsatellite analysis and quantitative real-time PCR, respectively...
March 2018: Journal of Genetics
https://www.readbyqxmd.com/read/29665676/understanding-self-assembly-of-porphyrin-based-surmofs-how-layered-minerals-can-be-useful
#10
Ivan Nikolaevich Meshkov, Alexandra Igorevna Zvyagina, Andrey A Shiryaev, Maximilian Sergeevich Nickolsky, Alexander E Baranchikov, Alexander A Ezhov, Alsu Nugmanova, Yulia Yu Enakieva, Yulia Germanovna Gorbunova, Vladimir Valentinovich Arslanov, Maria A Kalinina
Porphyrin-based metal-organic networks on surfaces are a new class of planar materials with promising features for applications in chemical sensing, catalysis and organic optoelectronics at nanoscale. Herein we studied systematically a series of the SURMOFs assembled from variously meso-carboxyphenyl/pyridyl substituted porphyrins and zinc acetate on template monolayers of graphene oxide via layer-by-layer deposition. This microscopically flat template can initiate the growth of macroscopically uniform SURMOF films exhibiting well-resolved X-ray diffraction...
April 18, 2018: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/29665337/when-is-ligand-pk-a-a-good-descriptor-for-catalyst-energetics-in-search-of-optimal-co-2-hydration-catalysts
#11
Jeong Yun Kim, Heather J Kulik
We present a detailed study of nearly 70 Zn molecular catalysts for CO2 hydration from four diverse ligand classes ranging from well-studied carbonic anhydrase mimics (e.g., cyclen) to new structures we obtain by leveraging diverse hits from large organic libraries. Using kinetic analysis and establishing linear free energy relationships, we confirm turnover to be sensitive to relative thermodynamic stability of reactive hydroxyl and bound bicarbonate moieties. We observe a wide range of thermodynamic stabilities for these intermediates, showing up to 6 kcal/mol improvement over well-studied cyclen catalysts...
April 17, 2018: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/29665255/concise-review-rational-use-of-mesenchymal-stem-cells-in-the-treatment-of-ischemic-heart-disease
#12
REVIEW
Michael R Ward, Armin Abadeh, Kim A Connelly
The capacity of stem and progenitor cells to stimulate cardiac regeneration has been studied for almost 20 years, with very promising preclinical data and mixed clinical results. Several cell types have been studied, identified by their cell surface markers, differentiation capacity and their secreted growth factors. Bone marrow derived mesenchymal stem cells (MSCs) have been found to have potent regenerative capacity, through multiple mechanisms, including mesoderm lineage differentiation, immunomodulation, and paracrine stimulation...
April 17, 2018: Stem Cells Translational Medicine
https://www.readbyqxmd.com/read/29665169/fes-2-nanoparticles-decorated-graphene-as-microbial-fuel-cell-anode-achieving-high-power-density
#13
Ruiwen Wang, Mei Yan, Huidong Li, Lu Zhang, Benqi Peng, Jinzhi Sun, Da Liu, Shaoqin Liu
Microbial fuel cells (MFCs) have received great attention worldwide due to their potential in recovering electrical energy from waste and inexhaustible biomass. Unfortunately, the difficulty of achieving the high power, especially in real samples, remains a bottleneck for their practical applications. Herein, FeS2 nanoparticles decorated graphene is fabricated via a simple hydrothermal reaction. The FeS2 nanoparticles decorated graphene anode not only benefits bacterial adhesion and enrichment of electrochemically active Geobacter species on the electrode surface but also promotes efficient extracellular electron transfer, thus giving rise to a fast start-up time of 2 d, an unprecedented power density of 3220 mW m-2 and a remarkable current density of 3...
April 17, 2018: Advanced Materials
https://www.readbyqxmd.com/read/29665160/a-general-pathway-for-the-synthesis-of-gallastibenes-containing-ga-sb-double-bonds
#14
Stephan Schulz, Julia Krüger, Chelladurai Ganesamoorthy, Lukas John, Christoph Wölper
Reactions of three equivalents of LGa {L = HC[C(Me)N(2,6-i-Pr2C6H3)]2} with SbX3 (X = F, Cl, Br, I) proceed with insertion into the Sb-X bond, elimination of LGaX2 and formation of LGaSbGa(X)L (X = F 1, Cl 2, Br 3, I 4) containing a Ga=Sb double bond. In contrast, the 2:1 molar ratio reaction of LGa and SbCl3 initially gives the twofold insertion product [L(Cl)Ga]2SbCl 7, which could not be isolated due to its strong tendency toward elimination of LGaCl2 and formation of distibene [L(Cl)GaSb]2 5 at 25 °C or cyclotristibine [L(Cl)GaSb]3 6 at 8 °C...
April 17, 2018: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29664650/engineering-ni-mo-s-nanoparticles-for-hydrodesulfurization
#15
Anders Bodin, Ann-Louise Nygård Christoffersen, Christian Fink Elkjær, Michael Brorson, Jakob Kibsgaard, Stig Helveg, Ib Chorkendorff
Nanoparticle engineering for catalytic applications requires both a synthesis technique for production of well-defined nanoparticles as well as measurements of their catalytic performance. In this paper, we present a new approach to rationally engineering highly active Ni-Mo-S nanoparticle catalysts for hydrodesulfurization (HDS), i.e. removal of sulfur from fossil fuels. Nanoparticle catalysts are synthesized by sputtering of a Mo75Ni25 metal target in a reactive atmosphere of Ar and H2S, followed by gas aggregation of the sputtered material into nanoparticles...
April 17, 2018: Nano Letters
https://www.readbyqxmd.com/read/29664608/cyclopentadithiophene-benzothiadiazole-donor-acceptor-polymers-as-prototypical-semiconductors-for-high-performance-field-effect-transistors
#16
Mengmeng Li, Cunbin An, Wojciech Pisula, Klaus Müllen
Donor-acceptor (D-A) conjugated polymers are of great interest as organic semiconductors, because they offer a rational tailoring of the electronic properties by modification of the donor and acceptor units. Nowadays, D-A polymers exhibit field-effect mobilities on the order of 10-2 -100 cm2 V-1 s-1 , while several examples showed a mobility over 10 cm2 V-1 s-1 . The development of cyclopentadithiophene-benzothiadiazole (CDT-BTZ) copolymers one decade ago represents an important step toward high-performance organic semiconductors for field-effect transistors...
April 17, 2018: Accounts of Chemical Research
https://www.readbyqxmd.com/read/29664490/multiple-carrier-transfer-pathways-in-a-flower-like-in-2-s-3-cdin-2-s-4-in-2-o-3-ternary-heterostructure-for-enhanced-photocatalytic-hydrogen-production
#17
Dandan Ma, Jian-Wen Shi, Yajun Zou, Zhaoyang Fan, Jinwen Shi, Linhao Cheng, Diankun Sun, Zeyan Wang, Chunming Niu
A novel flower-like In2S3/CdIn2S4/In2O3 (ICS) ternary heterostructure (HS) is rationally constructed for the first time by a series of carefully designed procedures. In2O3 nanoflakes are the main constituent units which assemble into a flower-like skeleton structure, and CdIn2S4 nanoparticles are in situ generated on the surface of In2O3 nanoflakes through the transformation of CdS quantum dots (QDs) while In2S3 nanoparticles are in situ produced at the region between CdIn2S4 nanoparticles and In2O3 nanoflakes resulting from a synchronous sulfuration procedure...
April 17, 2018: Nanoscale
https://www.readbyqxmd.com/read/29664288/rational-development-of-cobalt-%C3%AE-ketoiminate-complexes-alternative-precursors-for-vapor-phase-deposition-of-spinel-cobalt-oxide-photoelectrodes
#18
Kai Junge Puring, Dennis Zywitzki, Dereje H Taffa, Detlef Rogalla, Manuela Winter, Michael Wark, Anjana Devi
A series of six cobalt ketoiminates, of which one was previously reported but not explored as a chemical vapor deposition (CVD) precursor, namely, bis(4-(isopropylamino)pent-3-en-2-onato)cobalt(II) ([Co( i pki)2 ], 1), bis(4-(2-methoxyethylamino)pent-3-en-2-onato)cobalt(II) ([Co(meki)2 ], 2), bis(4-(2-ethoxyethylamino)pent-3-en-2-onato)cobalt(II) ([Co(eeki)2 ], 3), bis(4-(3-methoxy-propylamino)pent-3-en-2-onato)cobalt(II) ([Co(mpki)2 ], 4), bis(4-(3-ethoxypropylamino)pent-3-en-2-onato)cobalt(II) ([Co(epki)2 ], 5), and bis(4-(3-isopropoxypropylamino)pent-3-en-2-onato)cobalt(II) ([Co( i ppki)2 ], 6) were synthesized and thoroughly characterized...
April 17, 2018: Inorganic Chemistry
https://www.readbyqxmd.com/read/29664153/using-the-advocacy-coalition-framework-and-multiple-streams-policy-theories-to-examine-the-role-of-evidence-research-and-other-types-of-knowledge-in-drug-policy
#19
Alison Ritter, Caitlin Elizabeth Hughes, Kari Lancaster, Robert Hoppe
BACKGROUND AND AIMS: The prevailing 'evidence-based policy' paradigm emphasizes a technical-rational relationship between alcohol and drug research evidence and subsequent policy action. However, policy process theories do not start with this premise, and hence provide an opportunity to consider anew the ways in which evidence, research and other types of knowledge impact upon policy. This paper presents a case study, the police deployment of drug detection dogs, to highlight how two prominent policy theories [the Advocacy Coalition Framework (ACF) and the Multiple Streams (MS) approach] explicate the relationship between evidence and policy...
April 17, 2018: Addiction
https://www.readbyqxmd.com/read/29663856/computational-insights-into-the-interaction-of-small-molecule-inhibitors-with-hri-kinase-domain
#20
Sourabh Palrecha, Dushant Lakade, Abhijeet Kulkarni, Jayanta K Pal, Manali Joshi
The heme-regulated inhibitor (HRI) kinase regulates globin synthesis in a heme-dependent manner in reticulocytes and erythroid cells in bone marrow. Inhibitors of HRI have been proposed to lead to an increased amount of hemoglobin, benefitting anemia patients. A series of indeno[1,2-c]pyrazoles were discovered to be the first known in vitro inhibitors of HRI. However, the structural mechanism of inhibition is yet to be understood. The aim of this study was to unravel the binding mechanism of these inhibitors using molecular dynamic simulations and docking...
April 17, 2018: Journal of Biomolecular Structure & Dynamics
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