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[ASAP] Polarizable Molecular Dynamics Simulations of Two <italic toggle="yes">c-kit</italic> Oncogene Promoter G-Quadruplexes: Effect of Primary and Secondary Structure on Loop and Ion Sampling

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00191




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[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




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[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




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

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




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[ASAP] Predicting Reactive Cysteines with Implicit-Solvent-Based Continuous Constant pH Molecular Dynamics in Amber

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00258




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[ASAP] Electronic Structure of Multicomponent Organic Molecular Materials: Evaluation of Range-Separated Hybrid Functionals

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00138




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[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




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[ASAP] Artificial Neural Networks Applied as Molecular Wave Function Solvers

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01132




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[ASAP] Generalized Form for Finite-Size Corrections in Mutual Diffusion Coefficients of Multicomponent Mixtures Obtained from Equilibrium Molecular Dynamics Simulation

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00268




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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.




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Two Gulf returnees test Covid positive in Kerala

Two Indians, who were among the 363 nationals brought back to Kerala from the Gulf, have tested positive for Covid-19, chief minister Pinarayi Vijayan said on Saturday. With this, the total number of active cases has climbed to 17 in the state. The patients have been admitted to hospitals in Kozhikode and Kochi.




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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.
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‘Blind time’ – current limitations on laser ablation multi-collector inductively coupled plasma mass spectrometry (LA-MC-ICP-MS) for ultra-transient signal isotope ratio analysis and application to individual sub-micron sized uranium particles

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00066C, Paper
Grant Craig, Matthew S. A. Horstwood, Helen J. Reid, Barry L. Sharp
Gaps in acquisition between integration times for MC-ICP-MS can introduce isotope ratio bias with a mixed detector array.
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Re-examination of complexation behaviors of V(V) and V(IV): experimental investigation and theoretical simulation

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00018C, Paper
Hong-Yi Li, Dan-Qing Li, Yang Yang, Xie Zhang, Jiang Diao, Bing Xie
This work has corrected the assumed over-assessed stability constants and tensioned stereo structures of V–EDTA complexes.
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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.
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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




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What kind of balance should we strike between the Easter bunny and the empty grave?




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Social media should be a complement to real life. Not a substitute.

One effective way to correct unhealthy social-media habits is to fast for a few weeks and then come back with strict limits on use — for example, as in the University of Pennsylvania study, a few minutes per day on any individual platform. That puts social media where it rightfully belongs: under each user’s control, and as a complement to real life.

complete article




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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




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Why should you create a positive social media legacy?

Ever since the idea of writing was conceived, humans have recorded historical events, the occurrences in our daily lives and even our deepest thoughts and feelings in diaries or journals. They reveal what our ancestors cared and thought about and handed down wisdom from one generation to the next. Social media has quickly moved into the space once occupied by personal diaries, although how we use it isn’t quite the same anymore. Two-way conversation A diary entry is usually a thoughtful process.

complete article




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The Most Popular Social Media Influencers

With influencer marketing becoming more... um, influential, it is worth noting which online identities are generating the most attention, and considering what that means for your outreach strategies.

And while you might not necessarily be able to get PewDiePie to endorse your products, it is interesting to consider how these popular identities are building their platforms, which could provide some guidance as to where people are looking, or even just give you an indicator of which creators to look to for inspiration with your own content.

The Most Popular Social Media Influencers




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5 TED Talks Every Social Media Pro Should Watch

I also enjoy watching TED Talks to get a better understanding of the latest trends, including in digital adoption and platform usage. Social media is a constantly evolving field - it is a rare arena of marketing where the platforms may change over time (bye Vine, hello TikTok), but the overall advice seldom feels too dated. Most businesses do want their content to go viral.

complete article




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Should You Let Your Coworkers Follow You On Social Media?

These days, your boss can be watching your Instagram stories or liking your posts. Social media blurs the line between work and personal life. While this can bring you closer to your team, it also adds pressure as any faux pas may affect your role or office dynamics. To explore the effects of ones social profiles on their career, WhoIsHostingThis, wanting to quantify what constitutes digital hoarding, the extent to which people do so, and the potential privacy risks of this behavior, asked over 900 employees, and the findings were interesting:

complete article




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Instagram: Visual Social Media Cultures – Book Review

In Instagram: Visual Social Media Cultures, Tama Leaver, Tim Highfield and Crystal Abidin elaborate on why Instagram is more than just a social media platform: instead, it has become an icon that has altered understandings of visual social media cultures. By doing so, they focus on different aspects of Instagram, such as its aesthetics, cultures, ecologies and economics, supported with real-life examples and cases.

Instagram has tried to keep itself distinct from Facebook and other social platforms.




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Two Indians brought back from Gulf test Covid positive in Kerala

Two Indians, who were among the 363 nationals brought back to Kerala from the Gulf, have tested positive for Covid-19, chief minister Pinarayi Vijayan said on Saturday. With this, the total number of active cases has climbed to 17 in the state. The patients have been admitted to hospitals in Kozhikode and Kochi.




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2020 NFL Schedule: Everything to know about the Baltimore Ravens schedule

The NFL schedule just dropped which means we're one step closer to football. Here's what we know about the Ravens upcoming season.




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49ers schedule 2020: Predicting why they can, can't match 2019 success

The 49ers are going to be good next season. But how good?




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Bears could make a move for recently-released Saints guard Larry Warford

One of the best guards of 2019 is all of a sudden on the market.




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'Around The NFL': Can't-miss games on 2020 schedule

The '"Around The NFL" crew list their can't-miss games on 2020 schedule.




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Patriots Talk Podcast: Schedule breakdown like no other with Tom E. Curran and Phil Perry

The new era of New England Patriots football has its schedule and Tom E. Curran and Phil Perry are breaking it down on the latest edition of Curran's Patriots Talk Podcast.




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NFL Network's Mike Robinson: Philadelphia Eagles should still be favored vs. Dallas Cowboys in NFC East

NFL Network's Mike Robinson believes the Philadelphia Eagles should still be favored vs. Dallas Cowboys in the NFC East.




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2020 NFL Schedule: The full Thursday Night Football matchups

Thursday Night Football includes a number of marquee matchups with intriguing storylines in 2020.




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How 49ers lucked out with 2020 NFL schedule compared to last season

The 49ers are far less likely to encounter the extreme weather they dealt with at various points last season.




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Whole lot of 'revenge' games for Tom Brady in this Buccaneers schedule

Don't you want me, baby?...DJ Bean points out that Tom Brady's first season in Tampa Bay is loaded with games against teams who passed on the legendary former Patriots quarterback in free agency.




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NFL schedule hints at determination to conduct Week One, then reassess

The NFL's regular-season schedule surprisingly opens with a bang. In a year during which the NFL could have loaded up the first weekend with so-so games and fans would have lapped it up like malnourished kittens, the league has instead loaded nine division games into Week One. From the banner raising in Kansas City featuring [more]




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2020 NFL Schedule: The full Monday Night Football matchups

The 2020 Monday Night Football slate looks terrific, including a number of marquee matchups and plenty of intriguing storylines




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Sports Talk Live Podcast: Breaking down the Bears' 2020 schedule

David Haugh, Chuck Garfien and Mark Carman join Kap for a casual Friday edition of SportsTalk Live.




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2020 NFL Schedule: The full Sunday Night Football matchups

The 2020 Sunday Night Football slate looks terrific, including a number of marquee matchups and plenty of intriguing storylines




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Two-step sequential blade-coating of high quality perovskite layers for efficient solar cells and modules

J. Mater. Chem. A, 2020, 8,8447-8454
DOI: 10.1039/D0TA02043E, Paper
Junwen Zhang, Tongle Bu, Jing Li, Hengyi Li, Yanping Mo, Zhengli Wu, Yifan Liu, Xiao-Li Zhang, Yi-Bing Cheng, Fuzhi Huang
A two-step sequential blade-coating process in air to fabricate high-efficiency perovskite solar cells and modules.
The content of this RSS Feed (c) The Royal Society of Chemistry




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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




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Large energy-storage density in transition-metal oxide modified NaNbO3–Bi(Mg0.5Ti0.5)O3 lead-free ceramics through regulating the antiferroelectric phase structure

J. Mater. Chem. A, 2020, 8,8352-8359
DOI: 10.1039/D0TA02285C, Paper
Ao Tian, Ruzhong Zuo, He Qi, Min Shi
The combination of AFE phase structural regulation and breakdown strength optimization through chemical modification leads to a large energy-storage density of Wrec ∼ 5.57 J cm−3 in NN–BMT lead-free bulk ceramics.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Enhancing the operational stability of unencapsulated perovskite solar cells through Cu–Ag bilayer electrode incorporation

J. Mater. Chem. A, 2020, 8,8684-8691
DOI: 10.1039/D0TA01606C, Paper
Chieh-Ting Lin, Jonathan Ngiam, Bob Xu, Yu-Han Chang, Tian Du, Thomas J. Macdonald, James R. Durrant, Martyn A. McLachlan
Incorporation of bilayer electrodes (Cu:Ag) significantly reduces electrode corrosion and device degradation in perovskite solar cells operating in air. A symbiosis exists whereby Ag inhibits Cu oxidation and Cu prevents interfacial reactions between the perovskite (MAPbI3) and Ag.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Achieving ultrahigh volumetric performance of graphene composite films by an outer–inner dual space utilizing strategy

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/C9TA13585E, Paper
Cong Huang, Qunli Tang, Qiushui Feng, Yanhua Li, Yali Xu, Yan Zhang, Aiping Hu, Shiying Zhang, Weina Deng, Xiaohua Chen
An outer–inner dual space utilizing strategy is reported for the fabrication of an ultrahigh volumetric performance polydopamine-coated dopamine/reduced graphene oxide composite film.
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A universal cross-linking binding polymer composite for ultrahigh-loading Li-ion battery electrodes

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA00714E, Paper
Dong Wang, Qian Zhang, Jie Liu, Erying Zhao, Zhenwei Li, Yu Yang, Ziyang Guo, Lei Wang, Shanqing Zhang
A general, facile-operability, and sustainable strategy to achieve ultrahigh-loading electrodes has been proposed that is simply replacing the traditional PVDF binder with an eco-friendly and robust c-PAA-XG binder with a high-efficiency damper.
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A disorder-free conformation boosts phonon and charge transfer in an electron-deficient-core-based non-fullerene acceptor

J. Mater. Chem. A, 2020, 8,8566-8574
DOI: 10.1039/D0TA01260B, Paper
Chujun Zhang, Jun Yuan, Ka Lok Chiu, Hang Yin, Weifang Liu, Guanhaojie Zheng, Johnny Ka Wai Ho, Suzhen Huang, Gaoxing Yu, Feng Gao, Yingping Zou, Shu Kong So
A disorder-free molecular conformation caused by alkyl side chains facilitates electron transport, heat transfer and reduces electronic disorder.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Achieving a 2.7 V aqueous hybrid supercapacitor by the pH-regulation of electrolyte

J. Mater. Chem. A, 2020, 8,8648-8660
DOI: 10.1039/D0TA02926B, Paper
Lijun Su, Qingnuan Zhang, Yue Wang, Jianing Meng, Yongtai Xu, Lingyang Liu, Xingbin Yan
We present an effective electrolyte pH-regulation strategy for cation-intercalated manganese oxides to extend the voltage window of aqueous supercapacitors.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Moisture-tolerant and high-quality α-CsPbI3 films for efficient and stable perovskite solar modules

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA01968B, Paper
Ruihao Chen, Yong Hui, Binghui Wu, Yongke Wang, Xiaofeng Huang, Zhongyuan Xu, Pengpeng Ruan, Wuyong Zhang, Fangwen Cheng, Weijie Zhang, Jun Yin, Jing Li, Nanfeng Zheng
Crown ether effectively stabilizes the cubic phase of CsPbI3 to inhibit the moisture invasion and phase transformation of CsPbI3 films, producing large-area devices and improving device performance.
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Simultaneously improving the photovoltaic parameters of organic solar cells via isomerization of benzo[b]benzo[4,5]thieno[2,3-d]thiophene-based octacyclic non-fullerene acceptors

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA00451K, Paper
Zhijie Zhou, Jiamin Duan, Linglong Ye, Guo Wang, Bin Zhao, Songting Tan, Ping Shen, Hwa Sook Ryu, Han Young Woo, Yanming Sun
Three isomeric FREAs were synthesized and applied in organic solar cells. The OSC devices based on Z1-bb exhibited a PCE of 12.66%. The isomerization of a fused-ring core could be achieve high-performance OSCs with high Jsc, Voc, and FF.
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A highly efficient artificial light-harvesting system with two-step sequential energy transfer based on supramolecular self-assembly

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA03169K, Paper
Guangping Sun, Weirui Qian, Jianmin Jiao, Tingting Han, Yukun Shi, Xiao-Yu Hu, Leyong Wang
An efficient artificial light-harvesting system with two-step sequential energy transfer has been successfully constructed based on supramolecular self-assembly.
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Two-dimensional covalent–organic frameworks for ultrahigh iodine capture

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/C9TA13980J, Communication
Jinheng Li, Huixin Zhang, Lingyan Zhang, Ke Wang, Zhengkang Wang, Guiyan Liu, Yanli Zhao, Yongfei Zeng
Two new two-dimensional covalent–organic frameworks are synthesized using a three-connected building block, showing ultrahigh iodine capture capacities of 5.625 g g−1 and 4.820 g g−1 on account of physical–chemical adsorption.
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