de

[ASAP] <sup>13</sup>C NMR Relaxation Analysis of Protein GB3 for the Assessment of Side Chain Dynamics Predictions by Current AMBER and CHARMM Force Fields

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00050




de

[ASAP] Bottom-Up Nonempirical Approach To Reducing Search Space in Enzyme Design Guided by Catalytic Fields

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00139




de

[ASAP] Update to Our Reader, Reviewer, and Author Communities—April 2020

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00394




de

[ASAP] Range-Separated Density-Functional Theory in Combination with the Random Phase Approximation: An Accuracy Benchmark

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01294




de

[ASAP] Exploiting a Mechanical Perturbation of a Titin Domain to Identify How Force Field Parameterization Affects Protein Refolding Pathways

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00080




de

[ASAP] Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00057




de

[ASAP] Tight-Binding Modeling of Uranium in an Aqueous Environment

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00089




de

[ASAP] Accurate and Efficient Prediction of NMR Parameters of Condensed-Phase Systems with the Generalized Energy-Based Fragmentation Method

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01298




de

[ASAP] Benchmarking Correlated Methods for Frequency-Dependent Polarizabilities: Aromatic Molecules with the CC3, CCSD, CC2, SOPPA, SOPPA(CC2), and SOPPA(CCSD) Methods

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01300




de

[ASAP] Introducing Virtual Oligomerization Inhibition to Identify Potent Inhibitors of Aß Oligomerization

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00185




de

[ASAP] Implementation of Coherent Switching with Decay of Mixing into the SHARC Program

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00112




de

[ASAP] Reduced-Order Modeling Approach for Electron Transport in Molecular Junctions

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01090




de

[ASAP] Efficient Analytic Second Derivative of Electrostatic Embedding QM/MM Energy: Normal Mode Analysis of Plant Cryptochrome

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01145




de

[ASAP] Balancing Density Functional Theory Interaction Energies in Charged Dimers Precursors to Organic Semiconductors

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01193




de

[ASAP] Markov State Model Analysis of Haloperidol Binding to the D<sub>3</sub> Dopamine Receptor

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00013




de

[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




de

[ASAP] Comprehensive Evaluation of Fourteen Docking Programs on Protein–Peptide Complexes

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01208




de

[ASAP] A Two-Ended Data-Driven Accelerated Sampling Method for Exploring the Transition Pathways between Two Known States of Protein

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01184




de

[ASAP] Charge Interactions Modulate the Encounter Complex Ensemble of Two Differently Charged Disordered Protein Partners of KIX

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01264




de

'Delhi-Mum road project offers investment chances'

The upcoming Rs 1 lakh cr Delhi-Mumbai Expressway project offers huge investment opportunities for investors, Union minister Nitin Gadkari said, urging players to invest in proposed townships & wayside amenities. The minister also exhorted industry players to look into the possibilities of setting up clusters of leather, plastic and other products along the highway.




de

Loan defaulters flee, SBI complains after 4 yrs

Three promoters of Ram Dev International, recently booked by the Central Bureau of Investigation (CBI) for allegedly cheating a consortium of six banks to the tune of Rs 411 crore, have already fled the country before the State Bank of India (SBI) reached the agency with the complaint, officials said on Saturday.




de

TN moves SC against HC order on liquor shops

The Tamil Nadu government on Saturday moved the Supreme Court challenging an interim judgment of the Madras HC to close liquor outlets run by state-run Tasmac. Following the violations of conditions imposed by the court, the high court said no liquor shops shall be kept open till the lockdown imposed by the Centre and the state government is lifted or modified.




de

‘Shouted at them to wake up, train was louder’

Survivors recount the horror of the accident on the railway tracks that left 16 migrant workers dead near Aurangabad




de

Narco-terrorist held; funded terror in J&K

The NIA said that the agency along with Punjab and Haryana police arrested Ranjit Singh, allegedly a notorious narco-terrorist, on Saturday as he was acting as a conduit for Pakistan-based groups to push drugs into India and the money generated was used for terror activities. Singh, who has been on the run for nearly a year, was arrested from Sirsa, the NIA said.




de

Atomic fluorescence spectrometry for ultrasensitive determination of bismuth based on hydride generation – the role of excitation source, interference filter and flame atomizers

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00043D, Paper
Barbora Štádlerová, Marta Kolrosová, Jiří Dědina, Stanislav Musil
A method of highly sensitive bismuth determination by hydride generation coupled with in-house assembled non-dispersive atomic fluorescence spectrometry was developed.
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




de

Diagnostics of laser induced plasmas at late delay times

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/C9JA00439D, Paper
L. J. Martino, C. A. D'Angelo
Implementation of the plasma diagnostic method to estimate the evolution of temperature and electronic density at advanced postbreakdown times.
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




de

Inductively coupled plasma mass spectrometry coupled to cation exchange chromatography for the determination of trace nickel in alkaline electrolyte

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00071J, Technical Note
Lukas Miner, Diane Beauchemin
Cone corrosion by alkaline solutions with flow injection is prevented using cation-exchange chromatography coupled to inductively coupled plasma mass spectrometry.
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




de

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




de

Rapid determination of Ba isotope compositions for barites using H2O-extraction method and MC-ICP-MS

J. Anal. At. Spectrom., 2020, Accepted Manuscript
DOI: 10.1039/D0JA00078G, Paper
Lan-Lan Tian, Ying-Zeng Gong, Wei Wei, Jin-Ting Kang, Hui-Min Yu, Fang Huang
This study presents a rapid and simple method of high precision Ba isotope measurement for barite using H2O extraction. The main challenge for analyzing Ba isotope composition of barite is...
The content of this RSS Feed (c) The Royal Society of Chemistry




de

Ultra-sensitive determination of antimony valence by solution cathode glow discharge optical emission spectrometry coupled with hydride generation

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00009D, Paper
Mingyue Zhao, Xiaoxu Peng, Bingcheng Yang, Zheng Wang
An ultra-sensitive solution cathode glow discharge-optical emission spectrometry (SCGD-OES) method coupled with hydride generation (HG) for the determination of antimony valence is described.
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




de

High performance method for the accurate and precise determination of silicon isotopic compositions in bulk silicate rock samples using laser ablation MC-ICP-MS

J. Anal. At. Spectrom., 2020, Accepted Manuscript
DOI: 10.1039/D0JA00036A, Paper
Chenxi Zhang, He Zhao, Wen Zhang, Tao Luo, Ming Li, Keqing Zong, Yongsheng Liu, Zhaochu Hu
MC-ICP-MS has become one of the most powerful analytical methods for Si isotopes in bulk liquid and solid samples in the past decade. Laser ablation provides direct sampling of solid...
The content of this RSS Feed (c) The Royal Society of Chemistry




de

Evidence for Photochemical Synthesis of Fluoromethane

J. Anal. At. Spectrom., 2020, Accepted Manuscript
DOI: 10.1039/D0JA00108B, Communication
Ralph E Sturgeon, Enea Pagliano
Photochemical generation of volatile fluoromethane in a dilute acetic acid medium is demonstrated. Radical halogen atom transfer (XAT) from an intermediate Cu-F transition metal fluorocomplex to abundant •CH3 generated by...
The content of this RSS Feed (c) The Royal Society of Chemistry




de

Feasibility study on application of Laser Induced Breakdown Spectroscopy for detection & identification of failed fuel pin and sodium-water reaction in Fast Reactors

J. Anal. At. Spectrom., 2020, Accepted Manuscript
DOI: 10.1039/D0JA00077A, Paper
Namitha J., Ujjwal Kumar Maity, Thangaraj Selvalakshmi, Manoravi Periasamy, Ashok Kumar G. V. S., Joseph M, Nagarajan Sivaraman
In a fast reactor, during the analysis of core cover gas, the presence of gaseous fission products, namely, Kr and Xe or presence of He (in case of He bonded...
The content of this RSS Feed (c) The Royal Society of Chemistry




de

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




de

Depending On Jesus

Discovering the sufficiency of Christ.




de

How Social Media Debases Discourse

Smith had a Twitter meltdown this morning in response to some relatively gentle and polite criticism from me. Smith is a perfectly respectable journalist in his day job — a purveyor of tediously predictable received opinion, to be sure, but there is room for all kinds. Online, he is transformed through the emotional alchemy of Twitter into a deranged, masturbatory, feces-flinging rage monkey straight from Hell’s own zoo. He is, amusingly enough, so enraged that he cannot even get straight what he himself has written.

I hope readers will forgive the brief point-by-point here. I promise it adds up to something.

complete article




de

Cyber Warfare: Army Deploys Social Media Warfare Division To Fight Russia

The U.K.s new special cyber operations unit, 6 Division (6 Div), will move beyond the typical cyber capabilities within the military sphere into full-blown social media "information warfare." And here the primary adversary is Russia, which has turned the dark art of peddling fake news and political propaganda across major social media platforms into a national security strategy.

Much of the work of the new unit will be relatively traditional signals activities—jamming and intercepting enemy comms, supporting the field world of allied intelligence agencies.

complete article




de

In India Social media platforms to follow code of ethics in all future elections

In India Social media platforms like Facebook, Twitter and WhatsApp have agreed to follow the "voluntary code of ethics" in all future elections, including the upcoming Maharashtra and Haryana assembly polls, the Election Commission said on Thursday.

The code, which was derived to act against paid advertisements that violate norms set by the Election Commission, came into force on March 20 in the last Lok Sabha polls.

complete article




de

Twitter Provides Tips for Halloween Campaigns

Halloween is coming, and that means that brands are looking at ways they can tap into the rising Halloween conversation, and maximize their exposure by latching onto trending hashtags.

And this week, Twitter has provided some notes to help you maximize your Halloween tie-ins on the platform - and within them, there are a couple of hidden gems of information, which likely apply to your tweet strategy beyond the event itself.

complete article




de

How to Develop a Social Media Marketing Strategy for Your Business

A sound, effective strategy involves these four steps.

A whopping 3.2 billion people, or 42% of the world's population, uses social media. On average, people spend over two hours of their day messaging and surfing social media networks.

After having a positive experience with a brand on social media, 71% of people will often recommend the brand to their friends and family. On top of that, 49% of people are taking their cues on what to buy from social media influencers.

Based on these statistics, it's crucial for businesses to have a solid social media marketing strategy in place. Unfortunately, many business owners have no idea how to handle social media marketing.

complete article




de

An Easy Guide to Creating Social Media Videos that Drive Results

When was the last time you watched a video on Facebook? What about Instagram or Twitter?

My guess is that it was probably within the last day.

The reason for this guess is because video continues to be one of the most powerful forms of content on social media. You can not take a digital step without coming face-to-face with a video – and there is a reason for this.

complete article




de

The Rise and Demise of RSS

Before the internet was consolidated into centralized information silos, RSS imagined a better way to let users control their online personas.

About a decade ago, the average internet user might well have heard of RSS. Really Simple Syndication, or Rich Site Summary—what the acronym stands for depends on who you ask—is a standard that websites and podcasts can use to offer a feed of content to their users, one easily understood by lots of different computer programs. Today, though RSS continues to power many applications on the web, it has become, for most people, an obscure technology.

complete article




de

4 Ways to Develop Healthy Social Media Habits

Do you feel bad after using social media? If you do, chances are you don’t have healthy habits when it comes to using it. So when you use social media, you’re harming your wellbeing in the process.

Luckily there are a few things you can do to develop the right mindset and healthy habits to make you a happier, healthier social media user. Here are a few tips.

1. Moderate your use.
Social media is an excellent tool to not only connect the world, but give creators freedom to express themselves and build communities around their work. However, it also has a dark side.

4 Ways to Develop Health Social Media Habits




de

One of the Best RSS Readers Is Back

Despite what companies like Apple and Facebook claim, you do not need a giant corporation telling you what news stories you should read every morning. Nearly every website (worth reading) still operates an RSS feed. And now one of the oldest and most robust RSS readers, NetNewsWire, is back from the dead and worth your consideration again.

Over the years, NetNewsWire has changed owners a few times, but in late 2018, former owner Black Pixel returned NetNewsWires intellectual property to Brent Simmons, which he now uses as the name for an open-source Mac RSS reader he has been developing for about five years.

complete article




de

How to create a simple RSS feed reader on iOS

Apple has announced that Shortcuts, a powerful automation app for the iPhone and iPad, will come pre-installed on iOS devices starting this fall. This is great news because it is an incredibly handy app — based on Workflow which Apple acquired in 2017 — that lets you combine multiple actions to perform a specific task.

complete article




de

Feedly is developing an AI tool to help its users prioritize articles from RSS feeds

Feedly, a popular RSS feed reader with millions of users worldwide, recently announced the creation of a new AI research assistant named Leo. Their goal with Leo is to create an AI with a set of skills that will enable it to better prioritize articles from news feeds.

complete article




de

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




de

Social media interest is spiking worldwide — except for LinkedIn

As the coronavirus pandemic sweeps the world, more and more governments are imposing lockdowns on their citizens. As a result, reliance on digital tools has increased significantly to maintain social and professional relationships. Notably, usage of video conferencing app Zoom has spiked, and not just for professional purposes.

But what about the social media tools we were already using to connect with people on a daily basis? How has their popularity changed so far in these trying times?

complete article




de

SOCIAL NETWORK MARKETING – RAPID GROWTH AT DEEP VALUE PRICE | FACEBOOK, INSTAGRAM, GOOGLE, LINKEDIN

Latest added Global Social Network Marketing Market research study by HTF MI offers detailed product outlook and elaborates market review till 2025. The market Study is segmented by key regions that is accelerating the marketization. At present, the market is sharping its presence and some of the key players in the study are Facebook, Instagram, Google, LinkedIn, Twitter, Pinterest & Tumblr etc. The study is a perfect mix of qualitative and quantitative Market data collected and validated majorly through primary data and secondary sources.

complete article




de

Feedly is developing an AI tool to help its users prioritize articles from RSS feeds

Feedly, a popular RSS feed reader with millions of users worldwide, recently announced the creation of a new AI research assistant named Leo. Their goal with Leo is to create an AI with a set of skills that will enable it to better prioritize articles from news feeds.