potential

Ukraine Protests: Euromaidan Has Real Potential

Furious about its government cowing to Russia and mishandling economic challenges, Ukrainian citizens have taken to the streets in record force.




potential

Change the climate: Israel’s environmental potential at COP29 and regional impact


Israel showcases climate tech at COP29 but misses deeper environmental focus.




potential

Asian Development Blog: Five Strategic Steps to Unlock Armenia’s Data Center Potential for Economic Growth

Armenia's data center industry offers significant opportunities for economic growth, with strategic reforms in regulation, financing, and technological innovation playing crucial roles. Addressing infrastructure challenges and fostering public-private partnerships will help position Armenia as a regional digital hub.





potential

Evaluation of Wind Potential for Renewable Energy Development

The TA will focus on evaluating the wind potential of various site/s for government investment in wind energy. A feasibility analysis of viable wind sites will be carried out, which will inform the government on the scale of wind projects and how best to develop this potential. The TA will also fund the equipment for measuring wind speeds and directions to confirm site selection and build capacity for wind energy development in the EA.




potential

Potential Drawbacks of Noninvasive Diagnostic Methods for Nonalcoholic Fatty Liver Disease

The rising obesity epidemic is a phenomenon that has gained increasing attention from health providers and health policy makers. This led to recognition of nonalcoholic fatty liver disease (MASLD). The standard for its assessment has been histologic, which is neither practical nor acceptable by patients. Subsequently, a number of noninvasive assessment methods have been developed. However, despite ease of implementation, their confounding variables do hinder their accuracy. Nonetheless, the development of the liver stiffness measurement (LSM) and incorporation of other biological parameters has minimized but not eliminated the need for liver biopsy. Imaging methods are useful in evaluation, estimation, and following the progression of steatosis and fibrosis with particular attention to controlled attenuation parameter (CAP) and MRI–Proton Density Fat Fraction (MRI-PDFF). The choices for the family physician are broad and rely on tests’ availability, cost, and patient acceptance. Great efforts have been undertaken to produce more robust and novel noninvasive markers that indicate fibrinogenesis directly in an implementable and cost-effective way.




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Temperature matters: the potential impact of thermoregulatory mechanisms in brain-body physiology [Special Section: Symposium Outlook]

Thermoregulation, responsible for maintaining a stable core temperature during wide fluctuations in external and internal thermal environments, is an iconic homeostatic process. However, we suggest that despite its fundamental physiological significance, the potential for required cool housing temperatures and thermoregulatory mechanisms to influence the interpretation of experimental data is not sufficiently appreciated. Moreover, although it is generally assumed that the major thermoregulatory pathways are well understood, here we discuss new research that suggests otherwise and reveals the emergence of a new wave of exciting ideas for this "old" field of research.




potential

Comparison of the CYP3A Selective Inhibitors CYP3cide, Clobetasol, and Azamulin for Their Potential to Distinguish CYP3A7 Activity in the Presence of CYP3A4/5 [Articles]

The CYP3A7 enzyme accounts for ~50% of the total cytochrome P450 (P450) content in fetal and neonatal livers and is the predominant P450 involved in neonatal xenobiotic metabolism. Additionally, it is a key player in healthy birth outcomes through the oxidation of dehydroepiandrosterone (DHEA) and DHEA-sulfate. The amount of the other hepatic CYP3A isoforms, CYP3A4 and CYP3A5, expressed in neonates is low but highly variable, and therefore the activity of individual CYP3A isoforms is difficult to differentiate due to their functional similarities. Consequently, a better understanding of the contribution of CYP3A7 to drug metabolism is essential to identify the risk that drugs may pose to neonates and developing infants. To distinguish CYP3A7 activity from CYP3A4/5, we sought to further characterize the selectivity of the specific CYP3A inhibitors CYP3cide, clobetasol, and azamulin. We used three substrate probes, dibenzylfluorescein, luciferin-PPXE, and midazolam, to determine the IC50 and metabolism-dependent inhibition (MDI) properties of the CYP3A inhibitors. Probe selection had a significant effect on the IC50 values and P450 inactivation across all inhibitory compounds and enzymes. CYP3cide and azamulin were both identified as MDIs and were most specific for CYP3A4. Contrary to previous reports, we found that clobetasol propionate (CP) was not an MDI of CYP3A5 but was more selective for CYP3A5 over CYP3A4/7. We further investigated CYP3cide and CP’s ability to differentiate CYP3A7 activity in an equal mixture of recombinant CYP3A4, CYP3A5, and CYP3A7, and our results provide confidence of CYP3cide’s and CP’s ability to distinguish CYP3A7 activity in the presence of the other CYP3A isoforms.

SIGNIFICANCE STATEMENT

These findings provide valuable insight regarding in vitro testing conditions to investigate the metabolism of new drug candidates and help determine drug safety in neonates. The results presented here also clearly demonstrate the effect that probe selection may have on CYP3A cytochrome P450 inhibition studies.




potential

Evaluating the Abuse Potential of Lenabasum, a Selective Cannabinoid Receptor 2 Agonist [Special Section: Cannabinoid Signaling in Human Health and Disease]

Endocannabinoids, which are present throughout the central nervous system (CNS), can activate cannabinoid receptors 1 and 2 (CB1 and CB2). CB1 and CB2 agonists exhibit broad anti-inflammatory properties, suggesting their potential to treat inflammatory diseases. However, careful evaluation of abuse potential is necessary. This study evaluated the abuse potential of lenabasum, a selective CB2 receptor agonist in participants (n = 56) endorsing recreational cannabis use. Three doses of lenabasum (20, 60, and 120 mg) were compared with placebo and nabilone (3 and 6 mg). The primary endpoint was the peak effect (Emax) on a bipolar Drug Liking visual analog scale (VAS). Secondary VAS and pharmacokinetic (PK) endpoints and adverse events were assessed. Lenabasum was safe and well tolerated. Compared with placebo, a 20-mg dose of lenabasum did not increase ratings of Drug Liking and had no distinguishable effect on other VAS endpoints. Dose-dependent increases in ratings of Drug Liking were observed with 60 and 120 mg lenabasum. Drug Liking and all other VAS outcomes were greatest for nabilone 3 mg and 6 mg, a medication currently approved by the US Food and Drug Administration (FDA). At a target therapeutic dose (20 mg), lenabasum did not elicit subjective ratings of Drug Liking. However, supratherapeutic doses of lenabasum (60 and 120 mg) did elicit subjective ratings of Drug Liking compared with placebo. Although both doses of lenabasum were associated with lower ratings of Drug Liking compared with 3 mg and 6 mg nabilone, lenabasum does have abuse potential and should be used cautiously in clinical settings.

SIGNIFICANCE STATEMENT

This work provides evidence that in people with a history of recreational cannabis use, lenabasum was safe and well tolerated, although it did demonstrate abuse potential. This work supports further development of lenabasum for potential therapeutic indications.




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The Potential of Cannabichromene (CBC) as a Therapeutic Agent [Special Section: Cannabinoid Signaling in Human Health and Disease-Minireview]

There is a growing interest in the use of medicinal plants to treat a variety of diseases, and one of the most commonly used medicinal plants globally is Cannabis sativa. The two most abundant cannabinoids (9-tetrahydrocannabinol and cannabidiol) have been governmentally approved to treat selected medical conditions; however, the plant produces over 100 cannabinoids, including cannabichromene (CBC). Although the cannabinoids share a common precursor molecule, cannabigerol, they are structurally and pharmacologically unique. These differences may engender differing therapeutic potentials. In this review, we will examine what is currently known about CBC with regards to pharmacodynamics, pharmacokinetics, and receptor profile. We will also discuss the therapeutic areas that have been examined for this cannabinoid, notably antinociceptive, antibacterial, and anti-seizure activities. Finally, we will discuss areas where new research is needed and potential novel medicinal applications for CBC.

SIGNIFICANCE STATEMENT

Cannabichromene (CBC) has been suggested to have disparate therapeutic benefits such as anti-inflammatory, anticonvulsant, antibacterial, and antinociceptive effects. Most of the focus on the medical benefits of cannabinoids has been focused on 9-tetrahydrocannabinol and cannabidiol. The preliminary studies on CBC indicate that this phytocannabinoid may have unique therapeutic potential that warrants further investigation. Following easier access to hemp, CBC products are commercially available over-the-counter and are being widely utilized with little or no evidence of their safety or efficacy.




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Posttranslational Modifications of {alpha}-Synuclein, Their Therapeutic Potential, and Crosstalk in Health and Neurodegenerative Diseases [Review Article]

α-Synuclein (α-Syn) aggregation in Lewy bodies and Lewy neurites has emerged as a key pathogenetic feature in Parkinson's disease, dementia with Lewy bodies, and multiple system atrophy. Various factors, including posttranslational modifications (PTMs), can influence the propensity of α-Syn to misfold and aggregate. PTMs are biochemical modifications of a protein that occur during or after translation and are typically mediated by enzymes. PTMs modulate several characteristics of proteins including their structure, activity, localization, and stability. α-Syn undergoes various posttranslational modifications, including phosphorylation, ubiquitination, SUMOylation, acetylation, glycation, O-GlcNAcylation, nitration, oxidation, polyamination, arginylation, and truncation. Different PTMs of a protein can physically interact with one another or work together to influence a particular physiological or pathological feature in a process known as PTMs crosstalk. The development of detection techniques for the cooccurrence of PTMs in recent years has uncovered previously unappreciated mechanisms of their crosstalk. This has led to the emergence of evidence supporting an association between α-Syn PTMs crosstalk and synucleinopathies. In this review, we provide a comprehensive evaluation of α-Syn PTMs, their impact on misfolding and pathogenicity, the pharmacological means of targeting them, and their potential as biomarkers of disease. We also highlight the importance of the crosstalk between these PTMs in α-Syn function and aggregation. Insight into these PTMS and the complexities of their crosstalk can improve our understanding of the pathogenesis of synucleinopathies and identify novel targets of therapeutic potential.

Significance Statement

α-Synuclein is a key pathogenic protein in Parkinson’s disease and other synucleinopathies, making it a leading therapeutic target for disease modification. Multiple posttranslational modifications occur at various sites in α-Synuclein and alter its biophysical and pathological properties, some interacting with one another to add to the complexity of the pathogenicity of this protein. This review details these modifications, their implications in disease, and potential therapeutic opportunities.




potential

Stent Retriever AssIsted Lysis Technique with Tirofiban: A Potential Bailout Alternative to Angioplasty and Stenting [CLINICAL PRACTICE]

BACKGROUND AND PURPOSE:

Angioplasty and stent placement have been described as a bailout technique in individuals with failed thrombectomy. We aimed to investigate Stent retriever AssIsted Lysis (SAIL) with tirofiban before angioplasty and stent placement.

MATERIALS AND METHODS:

Patients from 2 comprehensive stroke centers were reviewed (2020–2023). We included patients with failed thrombectomy and/or underlying intracranial stenosis who received SAIL with tirofiban before the intended angioplasty and stent placement. SAIL consisted of deploying a stent retriever through the occluding lesion to create a bypass channel and infuse 10 mL of tirofiban for 10 minutes either intra-arterially or IV. The stent retriever was re-sheathed before retrieval. The primary end points were successful reperfusion (expanded TICI 2b–3) and symptomatic intracerebral hemorrhage. Additional end points included 90-day mRS 0–2 and mortality.

RESULTS:

After a median of 3 (interquartile range, 2–4) passes, 44 patients received the SAIL bridging protocol with tirofiban, and later they were considered potential candidates for angioplasty and stent placement bailout (43.2%, intra-arterial SAIL). Post-SAIL successful reperfusion was obtained in 79.5%. A notable residual stenosis (>50%) after successful SAIL was observed in 45.7%. No significant differences were detected according to post-SAIL: successful reperfusion (intra-arterial SAIL, 80.0% versus IV-SAIL, 78.9%; P = .932), significant stenosis (33.3% versus 55.0%; P = .203), early symptomatic re-occlusion (0% versus 8.0%; P = .207), or symptomatic intracerebral hemorrhage (5.3% versus 8.0%; P = .721). Rescue angioplasty and stent placement were finally performed in 15 (34.1%) patients (intra-arterial SAIL 21.0% versus IV-SAIL 44%; P = .112). At 90 days, mRS 0–2 (intra-arterial SAIL 50.0% versus IV-SAIL 43.5%; P = .086) and mortality (26.3% versus 12.0%; P = .223) were also similar.

CONCLUSIONS:

In patients with stroke in which angioplasty and stent placement are considered, SAIL with tirofiban, either intra-arterial or IV, seems to safely induce sustained recanalization, offering a potential alternative to definitive angioplasty and stent placement.




potential

Secret Level‘s Creator Hopes Concord Episode Showcases Its Lost Potential



Tim Miller hopes Amazon's anthology series will help viewers appreciate the "blood, sweat, and tears" Firewalk Studios put into the scrapped game.




potential

Nordic-style Open Kindergarten to be trialled in Scotland ahead of potential roll-out

A new Nordic-style Open Kindergarten will be trialled in part of Scotland ahead of a potential roll-out across the country.




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Perseid meteor shower peaks Sunday night, potentially giving stargazers big show

The annual Perseid meteor shower is set to peak on Sunday night into early Monday morning, giving stargazers the chance to see hundreds of meteors.



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Stadium-sized asteroid deemed 'potentially hazardous' by NASA, is expected to move 'relatively close' to Earth

A stadium-sized asteroid is passing relatively close to Earth on Tuesday, NASA announced. Its distance from Earth and its massive size makes it a "potentially hazardous object."



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potential

EU Commission assesses progress in potential member states

The European Commission has revealed the progress of potential European Union countries in areas including food safety. As part of the Enlargement Package, the EU Commission has assessed how prepared Albania, Bosnia and Herzegovina, Kosovo, Montenegro, North Macedonia, Serbia, Georgia, Moldova, Ukraine, and Turkey are as they work towards EU... Continue Reading




potential

Stephen Harper's name in mix as potential head of AIMCo, sources say

Sources say Harper’s name has been in the mix for at least 10 months




potential

New Telescope Could Potentially Identify Planet X

Are there hidden planets in our solar system? New technologies, like the powerful Rubin Observatory, brings us closer to answers.




potential

George RR Martin teases potential new Game of Thrones project with Maisie Williams

Williams played Arya Stark in Game of Thrones for eight seasons




potential

FOPE spots potential opportunities for Indian cos in Australia & ECTA seen to propel easy market access

The Federation of Pharmaceutical Entrepreneurs (FOPE) has identified potential opportunities for Indian pharmaceutical companies to expand in Australia. Further, the India─Australia Economic Cooperation and Trade




potential

Noel Kempff Mercado Climate Action Project: The Promise and Peril of High-Potential Environmental Partnerships

In the first comprehensive post-mortem analysis of the Noel Kempff Mercado Climate Action Project (NKMCAP), Reine Rambert and Amanda Sardonis examine how NKMCAP failed to live up to its potential, by focusing on three different dimensions of partnership effectiveness: 1) the sustainability of the partnership, 2) the effectiveness of the collaboration process itself, and 3) the achievement of the planned objectives. Rambert and Sardonis extract several transferable lessons from the challenges faced by NKMCAP that are highly consequential to partnership effectiveness.




potential

Potential Fruits of the Biden-Putin Summit

The last time Joe Biden met Vladimir Putin, the two did not exactly hit it off. During the March 2011 meeting the-then vice president of the United States urged the then-prime minister of Russia not to return to the Kremlin, and then claimed to have reached unflattering conclusions about his Russian counterpart’s soul after the meeting was over. Putin too seems to have no love lost for Biden, even if he has been less blunt in showing it.




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Combating Nurse Burnout: Scientists Unveil Potential Interventions

The nursing profession has long faced a crisis of burnout and staffing shortages, intensified by the demands of the medlinkCOVID-19 pandemic/medlink.




potential

HER2-Positive Breast Cancer Therapies Show Potential in Bile Duct Cancer Trials

Drugs aimed at HER2-positive breast cancer may also help certain patients with bile duct cancer, as indicated by findings from a patient trial that will




potential

Hope for Anxiety Sufferers: Scientists Identify Potential Target

Mental health conditions, including anxiety disorders, autism, and schizophrenia, are significant global health concerns. Researchers at Universite de




potential

Hope on the Horizon: 3 Vaccine Signals Potential End to Malaria

A groundbreaking 3 medlinkmalaria vaccine/medlink (!--ref1--) is set to be administered to African babies, potentially paving the way for eradicating the disease within a decade.




potential

Mutational Changes in Bird Flu Virus Signal Potential Pandemic

A variant of avian flu virus, commonly found in Chinese poultry farms, is undergoing mutations that raise concerns about potential human transmission,




potential

Natural Products Hold Potential to Kill Lethal Viruses

Natural products or the compounds produced in nature have potential to disrupt the spread of viruses responsible for endemics and global pandemics. Researchers




potential

Nature's Healing Touch: Harnessing Aloe Vera's Potential

medlinkAloe vera/medlink, the unassuming houseplant that often goes unnoticed, is a remarkable and centuries-old medicinal plant, packed with nutrients




potential

Unlocking Yoga's Potential Through Consistent Practice

The World Health Organization (WHO) emphasized that consistency is crucial when practicing yoga's versatile aspects (!--ref1--), whether for medlinkfitness/medlink,




potential

Soligenix's Drug Shows Potential to Treat Oral Mucositis in Phase 2 Trial

New Jersey-based biopharmaceutical company, Soligenix has revealed that its developing drug has showed positive results against oral mucositis in Phase 2 clinical trial.




potential

Unlock the Full Potential of Your Smart Home with Essential Voice Commands

In the age of smart homes, voice assistants have become indispensable. These devices offer convenience and efficiency, transforming how we interact with technology. For tech enthusiasts in India, mastering voice commands can unlock the full potential of smart home devices. This




potential

Vehicular pollution as the primary source of oxidative potential of PM2.5 in Bhubaneswar, a non-attainment city in eastern India

Environ. Sci.: Processes Impacts, 2024, 26,1716-1735
DOI: 10.1039/D4EM00150H, Paper
Subhasmita Panda, Chinmay Mallik, S. Suresh Babu, Sudhir Kumar Sharma, Tuhin Kumar Mandal, Trupti Das, R. Boopathy
Overview of major PM2.5 sources responsible for catalytic ROS production.
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Fungal diversity and key functional gene abundance in Iowa bioretention cells: implications for stormwater remediation potential

Environ. Sci.: Processes Impacts, 2024, 26,1796-1810
DOI: 10.1039/D4EM00275J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Erica A. Wiener, Jessica M. Ewald, Gregory H. LeFevre
Fungal communities within bioretention cells were diverse, including taxa capable of biodegrading recalcitrant contaminants, and influenced by plant type. Fungal functional genes demonstrate bioremediation potential in stormwater infrastructure.
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potential

Quantitative read-across structure–property relationship (q-RASPR): a novel approach to estimate the bioaccumulative potential for diverse classes of industrial chemicals in aquatic organisms

Environ. Sci.: Processes Impacts, 2024, Advance Article
DOI: 10.1039/D4EM00374H, Paper
Prodipta Bhattacharyya, Pabitra Samanta, Ankur Kumar, Shubha Das, Probir Kumar Ojha
The Bioconcentration Factor (BCF) is used to evaluate the bioaccumulation potential of chemical substances in reference organisms, and it directly correlates with ecotoxicity.
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potential

Stabilization of lithium metal in concentrated electrolytes: effects of electrode potential and solid electrolyte interphase formation

Faraday Discuss., 2024, Accepted Manuscript
DOI: 10.1039/D4FD00038B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Anusha Pradhan, Shoma Nishimura, Yasuyuki Kondo, Tomoaki Kaneko, Yu Katayama, Keitaro Sodeyama, Yuki Yamada
Lithium (Li) metal negative electrodes have enticed a wide attention for high-energy-density batteries. However, its low Coulombic efficiency (CE) due to parasitic electrolyte reduction has been an alarming concern. Concentrated...
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Correction: Unexpected in crystallo reactivity of the potential drug bis(maltolato)oxidovanadium(IV) with lysozyme

Inorg. Chem. Front., 2024, 11,8147-8147
DOI: 10.1039/D4QI90073A, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Maddalena Paolillo, Giarita Ferraro, Irene Cipollone, Eugenio Garribba, Maria Monti, Antonello Merlino
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Exploring the synthetic potential of epoxide ring opening reactions toward the synthesis of alkaloids and terpenoids: a review

RSC Adv., 2024, 14,13100-13128
DOI: 10.1039/D4RA01834F, Review Article
Open Access
Madiha Hanif, Ameer Fawad Zahoor, Muhammad Jawwad Saif, Usman Nazeer, Kulsoom Ghulam Ali, Bushra Parveen, Asim Mansha, Aijaz Rasool Chaudhry, Ahmad Irfan
Epoxides are oxygen containing three-membered heterocycles which can undergo ring opening reactions. These reactions have been significantly employed in the synthesis of alkaloids and terpenoids-based natural products.
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Application of automated network generation for retrosynthetic planning of potential corrosion inhibitors

Mol. Syst. Des. Eng., 2024, 9,352-371
DOI: 10.1039/D3ME00162H, Paper
Lauren M. Lopez, Quan Zhang, Orion Dollar, Jim Pfaendtner, Brent H. Shanks, Linda J. Broadbelt
This work uses automated network generation, specifically the Python-based tool Pickaxe, for retrosynthetic planning towards making potential corrosion inhibitors from a pool of candidate bioprivileged molecules.
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The CF3TMS adduct of anthraquinone as a monomer for making polymers with potential as separation membranes

Polym. Chem., 2024, 15,4312-4318
DOI: 10.1039/D4PY01002G, Communication
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Kim Jiayi Wu, John M. Tobin, Anli Ji, Yang Shi, Chunchun Ye, Gary S. Nichol, Alessio Fuoco, Mariagiulia Longo, Johannes C. Jansen, Neil B. McKeown
The CF3TMS adduct of anthraquinone reacts with diphenyl ether via a superacid-catalysed step-growth polymerisation to give a polymer (BTFMA-DPE) with promise for making gas separation membranes.
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Metal–organic frameworks: potential synergies with cold atmospheric plasmas for cancer control

J. Mater. Chem. B, 2024, 12,10770-10785
DOI: 10.1039/D4TB00968A, Review Article
Xiaofeng Dai, Yixuan Yang
MOFs can act as cargo-carriers, nano-enzymes, and magnetic MOFs. CAPs, interacting with cell receptors to generate primary and secondary 1O2, may synergize with MOFs for oncotherapy via acting as cargos, substrates, and magnetic sensing agents.
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Mitochondrial membrane potential-independent near-infrared fluorescent probes for viscosity-exclusive imaging

J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB01785D, Paper
Xiu Pan, Yu Zhao, Jia-Li Wang, Shun Feng, Xiao-Qi Yu, Ming-Yu Wu
A novel mitochondrial targeting mitochondrial membrane potential-independent near-infrared fluorescent probe, ACR-DMA, was developed which can be firmly immobilized in mitochondria for tracking of mitochondrial viscosity changes in vitro and in vivo.
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potential

Quantum DFT analysis and molecular docking investigation of various potential breast cancer drugs

J. Mater. Chem. B, 2024, Accepted Manuscript
DOI: 10.1039/D4TB01803F, Paper
Ashraf Ayub, Ankit Raj Tyagi, Sunil Kumar Srivastava, Pranveer Singh
Breast cancer is the most often diagnosed and deadliest type of cancer in the world. These days, the world is facing the threat of breast cancer. It is essential to...
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Advancing cerumen analysis: exploring innovative vibrational spectroscopy techniques with respect to their potential as new point-of-care diagnostic tools

Analyst, 2024, 149,5381-5393
DOI: 10.1039/D4AN00868E, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Edoardo Farnesi, Matteo Calvarese, Chen Liu, Carl Messerschmidt, MohammadSadegh Vafaeinezhad, Tobias Meyer-Zedler, Dana Cialla-May, Christoph Krafft, Jonas Ballmaier, Orlando Guntinas-Lichius, Michael Schmitt, Jürgen Popp
The study demonstrates the potential of advanced vibrational spectroscopy to reveal the complex molecular composition of cerumen, suggesting its promising application as a non-invasive diagnostic tool for identifying disease-related biomarkers.
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potential

Impact of valley degeneracy on the thermoelectric properties of zig-zag graphene nanoribbons with staggered sublattice potentials and transverse electric fields

Phys. Chem. Chem. Phys., 2024, 26,27591-27601
DOI: 10.1039/D4CP03178D, Paper
David M. T. Kuo
This study investigates the band inversion of flat bands in zig-zag graphene nanoribbons (ZGNRs) using a tight-binding model.
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Unveiling the potential of aluminum-decorated 3D phosphorus graphdiyne as a catalyst for N2O reduction

Phys. Chem. Chem. Phys., 2024, 26,27677-27683
DOI: 10.1039/D4CP02686A, Paper
Shehzad Ahmed, Adnan Ali Khan, Danish Khan, Awais Ghani, Rashid Ahmad, Tian Xiaoqing, Imran Muhammad
This study reveals the exceptional reactivity and efficiency of 3D-Al/PGDYN catalysts for the reduction of N2O and CO with minimal energy barriers.
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Insight into the potential of M–NbS2 (M = Pd, Ti and V) monolayers as anode materials for alkali ion (Li/Na/K) batteries

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03744H, Paper
Meixia Xiao, Shuling Xu, Haiyang Song, Zhifei Sun, Jiaying Bi, Beibei Xiao
First-principles calculations were conducted to explore the effects of Pd, Ti and V doping on the performance of NbS2 monolayers as electrode materials for alkali ion batteries.
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potential

Investigation on the combustion mechanism for NF3/H2 in DF/HF chemical lasers: a new perspective based on deep potential molecular dynamics simulations

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03014A, Paper
Yinhua Ma, Dongmei Mu, Meiheng Lv, Nan Wang, Huaxin Liu, Fangjian Shang, Jianyong Liu
Combustion-driven deuterium fluoride/hydrogen fluoride (DF/HF) lasers are a crucial type of chemical lasers.
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potential

Intermolecular interaction potential maps from energy decomposition for interpreting reactivity and intermolecular interactions

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03237C, Paper
Amin Kiani, Wentong Zhou, Lawrence M. Wolf
The development and application of intermolecular interaction potential maps to rationalize a range of interactions at the DFT level using suitable probes is described.
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