ir

[ASAP] Stability of Two-Quartet G-Quadruplexes and Their Dimers in Atomistic Simulations

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01068




ir

[ASAP] Direct Unconstrained Variable-Metric Localization of One-Electron Orbitals

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01286




ir

[ASAP] Binding Dynamics of siRNA with Selected Lipopeptides: A Computer-Aided Study of the Effect of Lipopeptides’ Functional Groups and Stereoisomerism

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01261




ir

Maruti confirms new S-Cross launch post-lockdown

Maruti Suzuki S-Cross facelift was showcased at the Auto Expo 2020. The company has phased out the diesel engine and replaced it with the 1.5-litre, K-Series, BS6-compliant, petrol engine, much like the XL6, Ertiga and the facelift Brezza. Earlier, S-Cross was only available in diesel option with a manual gearbox.




ir

Coronavirus: TN relaxes lockdown measures further

The Tamil Nadu government on Saturday relaxed certain lockdown measures in non-containment areas across the state, including permission to do takeaway services at teashops. This will come into effect on May 11. All private establishments can function with 33% strength between 10.30am and 6pm in Greater Chennai Police limits and 10am and 7pm in the rest of the state.




ir

Development of a method for the direct determination of fluorine in solid samples using electrothermal vaporization coupled to inductively coupled plasma optical emission spectrometry

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00079E, Technical Note
Patricia Maung, Diane Beauchemin
ETV-ICPOES in atomic emission mode allows the direct determination of as low as 30 μg kg−1 fluorine in solid samples.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




ir

Zirconium stable isotope analysis of zircon by MC-ICP-MS: Methods and application to evaluating intra-crystalline zonation in a zircon megacryst

J. Anal. At. Spectrom., 2020, Accepted Manuscript
DOI: 10.1039/C9JA00315K, Paper
Open Access
Hannah G. D. Tompkins, Lisa Joanne Zieman, Mauricio Ibañez-Mejia, François L.H. Tissot
Zirconium (Zr) plays a key role in the development of phases like zircon (ZrSiO4) and baddeleyite (ZrO2) in magmatic systems. These minerals are crucial for the study of geologic time...
The content of this RSS Feed (c) The Royal Society of Chemistry




ir

Extractive separation of rare earth elements and their determination by inductively coupled plasma optical emission spectrometry in geological samples

J. Anal. At. Spectrom., 2020, Accepted Manuscript
DOI: 10.1039/D0JA00190B, Paper
Susanta Kumar Pradhan, Balram Ambade
A simple, rapid and effective solvent extraction separation of rare earth elements (REEs) has been developed for their determination in geological samples such as rock, soil and core samples by...
The content of this RSS Feed (c) The Royal Society of Chemistry




ir

Afghan boy bags real Messi shirt




ir

Smart RSS Reader is a feed reader extension for Firefox and Chrome

Web based feed readers are kind of a pain to use. They often implement changes that you do not want, while taking away features that you like.  Local readers are much better when it comes to this, because you can revert to an older version in case of adverse changes.

complete article




ir

Mapping the Social Network of Coronavirus

The offices of the Network Science Institute at Northeastern University sit 10 floors above Bostons Back Bay. Wraparound windows offer a floating panorama of the city, from Boston Common to Fenway Park, as a half-dozen young analysts toil quietly at computers.

At 10 a.m. on a recent morning, with the early calls to the World Health Organization and European doctors complete and the check-in with the Centers for Disease Control and Prevention scheduled for later, Alessandro Vespignani, the institute’s director, had some time to work the room. In a black blazer and jeans, he moved from cubicle to cubicle, giving each member of his team the latest updates on the coronavirus pandemic.

complete article




ir

Are Influencers the Escape Social Media Wants During Coronavirus?

Self-quarantining during COVID-19 has caused some, especially those in the travel industry, to take a bigger hit than others. Those who usually work from home have had to make less of an adjustment, though booking paid partnerships is a struggle industry-wide.

As a result, many influencers are getting creative with their social strategies. Those who are multiplatform and have more than one revenue stream are coming out on top.

complete article




ir

How social media feels about the coronavirus

An Italian-based artificial intelligence company is regularly analyzing social media posts about the coronavirus for their emotional content.

Why it matters: Classifying tens of thousands of posts by their emotional tone provides a snapshot of how people feel about the pandemic. Spoiler alert: not great!

How it works: Expert System specializes in semantics and natural language reading, a branch of AI involving computer systems that attempt to make sense of written language.

In doing so, a computer can rapidly analyze vast amounts of the written word — like, for example, a day's worth of social media posts about the COVID-19 pandemic.
For the past few weeks, Expert System has been collecting English language social media posts each day that feature frequently used hashtags like #coronalockdown and #covid19. Its AI can extract the emotional content of those posts, which is then analyzed and interpreted by Sociometrica.




ir

Smart RSS Reader is a feed reader extension for Firefox and Chrome

Web based feed readers are kind of a pain to use. They often implement changes that you don't want, while taking away features that you like.  Local readers are much better when it comes to this, because you can revert to an older version in case of adverse changes.

Smart RSS Reader is a feed reader extension for Firefox and Chrome that I have been using for a week; I am quite impressed by it so far.

Install the add-on and click its toolbar icon to open a new tab with the extension's RSS reader. It has three panes, each of which has a toolbar at the top. The left pane is the feeds pane and lists all RSS feeds that you're subscribed too. Selecting a feed displays the title of the articles published by the site in the center pane. It also displays the author's name and the date when the article went live.




ir

Private mobile phones restored in Kashmir; situation remains calm




ir

Former NFL player Myron Rolle now a doctor treating coronavirus patients

The NFL released its schedule for the upcoming season last night despite concerns over the coronavirus pandemic. Myron Rolle, a former NFL player who is now a neurosurgery resident at Massachusetts General hospital, joined CBSN to discuss whether there is a safe way to play sports during this time. 




ir

Hollywood Brown and Lamar Jackson 'are going to set their own mark in history'

Marquise Brown knows that he still has another gear after an injury-riddled first season.




ir

Ravens sign third-rounder Tyre Phillips

The Ravens got another contract done with a 2020 draft pick on Friday. The team announced a deal with third-round offensive lineman Tyre Phillips. He's the seventh of their 10 draft picks to sign a four-year deal with the team this week. Phillips redshirted his first year at Mississippi State and served as a backup [more]




ir

Phosphate ion and oxygen defect-modulated nickel cobaltite nanowires: a bifunctional cathode for flexible hybrid supercapacitors and microbial fuel cells

J. Mater. Chem. A, 2020, 8,8722-8730
DOI: 10.1039/D0TA01423K, Paper
Wenda Qiu, Quanhua Zhou, Hongbing Xiao, Chun Zhou, Wenting He, Yu Li, Xihong Lu
The exploration of efficient and cost-effective cathodes for flexible hybrid supercapacitors (HSCs) and microbial fuel cells (MFCs) is highly desirable but challenging.
The content of this RSS Feed (c) The Royal Society of Chemistry




ir

An environmentally adaptive quasi-solid-state zinc-ion battery based on magnesium vanadate hydrate with commercial-level mass loading and anti-freezing gel electrolyte

J. Mater. Chem. A, 2020, 8,8397-8409
DOI: 10.1039/D0TA01033B, Paper
Weijun Zhou, Jizhang Chen, Minfeng Chen, Anran Wang, Aixiang Huang, Xinwu Xu, Junling Xu, Ching-Ping Wong
A quasi-solid-state zinc-ion battery exhibits remarkable areal and volumetric energy/power densities and excellent cyclability from −30 to 60 °C.
The content of this RSS Feed (c) The Royal Society of Chemistry




ir

Rocking-chair capacitive deionization with flow-through electrodes

J. Mater. Chem. A, 2020, 8,8476-8484
DOI: 10.1039/C9TA14112J, Paper
Yong Liu, Xin Gao, Kai Wang, Xinyue Dou, Haiguang Zhu, Xun Yuan, Likun Pan
Flow-through Rocking-chair Capacitive Deionization system with ultrahigh desalination rate is built for the first-time, in which sodium-pre-intercalated MnO2 coated carbon nanofiber aerogels are employed as the flow-through electrode.
The content of this RSS Feed (c) The Royal Society of Chemistry




ir

An advanced three-dimensionally ordered macroporous NiCo2O4 spinel as a bifunctional electrocatalyst for rechargeable Zn–air batteries

J. Mater. Chem. A, 2020, 8,8554-8565
DOI: 10.1039/D0TA00874E, Paper
José Béjar, Lorena Álvarez-Contreras, Janet Ledesma-García, Noé Arjona, Luis Gerardo Arriaga
A rechargeable ZAB was assembled using a NiCo2O4 3DOM spinel displaying an open circuit potential of 1.44 V, a power density of 101 mW cm−2, and a high durability during charge/discharge cycling (being operated for 21 h).
The content of this RSS Feed (c) The Royal Society of Chemistry




ir

A series of highly stable porphyrinic metal–organic frameworks based on iron–oxo chain clusters: design, synthesis and biomimetic catalysis

J. Mater. Chem. A, 2020, 8,8376-8382
DOI: 10.1039/D0TA02033H, Paper
Gang Liu, Hao Cui, Sujuan Wang, Li Zhang, Cheng-Yong Su
A facile synthesis of a series of Fe–oxo chain-based porphyrinic MOFs (namely M-PMOF-3(Fe), M = Fe, Co, Ni, Cu) has been reported.
The content of this RSS Feed (c) The Royal Society of Chemistry




ir

Identifying Raman modes of Sb2Se3 and their symmetries using angle-resolved polarised Raman spectra

J. Mater. Chem. A, 2020, 8,8337-8344
DOI: 10.1039/D0TA01783C, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Nicole Fleck, Theodore D. C. Hobson, Christopher N. Savory, John Buckeridge, Tim D. Veal, Maria R. Correia, David O. Scanlon, Ken Durose, Frank Jäckel
Vibrational symmetry assignments using Raman spectroscopy and density functional theory on oriented crystals also enabling orientation optimisation of thin films.
The content of this RSS Feed (c) The Royal Society of Chemistry




ir

Testing the predictive power of theory for PdxIr(100−x) alloy nanoparticles for the oxygen reduction reaction

J. Mater. Chem. A, 2020, 8,8421-8429
DOI: 10.1039/C9TA13711D, Paper
Hongyu Guo, Jamie A. Trindell, Hao Li, Desiree Fernandez, Simon M. Humphrey, Graeme Henkelman, Richard M. Crooks
PdxIr(100−x) alloys synthesized via a microwave-assisted polyol method serve as an ideal experimental system to improve theoretical insight of the material properties towards the ORR.
The content of this RSS Feed (c) The Royal Society of Chemistry




ir

The rational and effective design of nonfullerene acceptors guided by a semi-empirical model for an organic solar cell with an efficiency over 15%

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA03087B, Paper
Xin Ke, Lingxian Meng, Xiangjian Wan, Mingpeng Li, Yanna Sun, Ziqi Guo, Simin Wu, Hongtao Zhang, Chenxi Li, Yongsheng Chen
Guided by a semi-empirical model, two small-molecule acceptors were rationally designed and an impressive PCE of 15.05% was achieved.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




ir

Polyimide/ZIF-7 Mixed-Matrix Membranes: Understanding in-situ Confined Formation of ZIF-7 Phases inside Polymer and Their Effects on Gas Separations

J. Mater. Chem. A, 2020, Accepted Manuscript
DOI: 10.1039/D0TA02761H, Paper
Sunghwan Park, Kie Yong Cho, Hae-Kwon Jeong
Polymer-modification-enabled in-situ metal-organic framework formation (PMMOF) is potentially a paradigm-shifting preparation method for polymer/MOF mixed-matrix membranes (MMMs). However, the actual reaction conditions of in-situ formation of MOF in the confined...
The content of this RSS Feed (c) The Royal Society of Chemistry




ir

The fabrication of IMo6@iPAF-1 as an enzyme mimic in heterogeneous catalysis for oxidative desulfurization under O2 or air

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/C9TA14066B, Paper
Yue Li, Jian Song, Mengting Jiang, Mbage Bawa, Xiaohong Wang, Yuyang Tian, Guangshan Zhu
Na5[IMo6O24]·3H2O and a porous aromatic framework (iPAF-1) were used to build an off-the-shelf building material (IMo6@iPAF-1) to realize the highly efficient oxidation of organic sulfurs like oxygenase.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




ir

Four PE firms close in on JB Chemicals

Four global funds have submitted non-binding bids of ₹4,800-5,000 crore valuation. Final bids are likely to be in by June-end. The company had hired investment bank Avendus to find a buyer for the promoter’s stake.




ir

Gilead scouting for partners in India, Pakistan for remdesivir

Recent clinical trial results and the decision by the US Food and Drug Administration to issue 'Emergency Use Authorisation' for remdesivir have highlighted the urgency of this work and the importance of planning for access to remdesivir globally, Gilead said.




ir

CSIR submits 53 genome sequences of coronavirus to global body; to share 450 more by May 15

CSIR's Institute of Genomics and Integrative Biology (IGIB), Delhi, Centre for Cellular and Molecular Biology (CCMB), Hyderabad and Institute of Microbial Technology, Chandigarh are currently sequencing the genomes of the novel coronavirus, he said. Other CSIR institutes are also expected to join the process.




ir

Bilateral deals might not be equitable for Covid-19: MPP executive director Charles Gore

The Medicines Patent Pool is a United Nations-backed public health organisation that helps middle- and low-income countries get access to critical drugs. MPP executive director Charles Gore told ET’s Divya Rajagopal about the organisation’s plan to ensure equitable access of Covid-19 drugs and vaccines.




ir

Gilead under gun to mass-produce virus drug or risk exclusivity

All of that could add up to market wins if remdesivir lives up to expectations and Gilead can ramp up to sufficiently respond to Covid-driven demand. But if it can’t, Gilead could be “very vulnerable” to the federal government using its powers to compel the licensure of remdesivir patents, Roth said.




ir

Chinese drugmaker in talks to test virus vaccine globally

With China having largely curbed its growth of new infections, its drugmakers will need to seek international cooperation to test their vaccine candidates in other countries — a task that may be complicated by tensions between China and some nations, especially the US, over how and where the virus originated.




ir

Prog: On the air.

MEDIA PhonCD ML5.P76 v.89




ir

In the loop / WoodWired

MEDIA PhonCD W878 in




ir

Dark holler / David Kirkland Garner

MEDIA PhonCD G1859 dar




ir

The Andrée expedition: From the diary of Virginia Woolf / Dominick Argento

MEDIA PhonCD Ar37 song




ir

Renaissance polyphony of Portugal for Our Lady of Fatima / St. John Cantius Choir of St. Cecilia, Fr. Scott A. Haynes

MEDIA PhonCD Sa237 ren




ir

Piano music / Helen Hopekirk

MEDIA PhonCD H773 piamu




ir

Double concertos: Brahms, Rihm, Harbison / Mira Wang, Jan Vogler, Royal Scottish National Orchestra, Peter Oundjian

MEDIA PhonCD W18412 dou




ir

Speak, be silent / Chaya Czernowin, Anna Thorvaldsdóttir, Mirela Ivičević, Liza Lim, Rebecca Saunders

MEDIA PhonCD R479 spe




ir

Direct contact / Roberta Rust

MEDIA PhonCD R927 dir




ir

Tootsie: the comedy musical / music and lyrics by David Yazbek ; book by Robert Horn ; based on the story by Don McGuire and Larry Gelbart and the Columbia Pictures motion picture

MEDIA PhonCD Y29 too




ir

"We, like Salangan swallows...": a choral gallery of Morton Feldman and contemporaries / the Astra Choir ; John McCaughey, director

MEDIA PhonCD As89 we




ir

Blossoms and cannons: a birthday collage: for piano and pre-recorded sounds / Elliott Schwartz

MEDIA CD Mu pts Sch94.6 blo




ir

Symphony no. 2: 'America' / Dan Locklair

MEDIA PhonCD L812 orcmu a




ir

Paddle to the sea / Third Coast Percussion

MEDIA PhonCD T3485 pad




ir

99 words / Sir John Tavener ; Roxanna Panufnik

MEDIA PhonCD V85088 nin




ir

The beatitudes: Introduction and allegro ; God save the queen / Sir Arthur Bliss

MEDIA PhonCD B6187 sel