Conflict, peace, security and development : theories and methodologies [Electronic book] / edited by Helen Hintjens and Dubravka Žarkov.
Cumulant Green's function methods for molecules
DOI: 10.1039/D4FD00037D, Paper
The cumulant expansion of the Green’s function is a computationally efficient beyond-GW approach renowned for its significant enhancement of satellite features in materials. In contrast to the ubiquitous GW approximation...
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Orbital optimisation in xTC transcorrelated methods
DOI: 10.1039/D4FD00036F, Paper
We present a combination of the bi-orthogonal orbital optimisation framework with the recently introduced xTC version of transcorrelation. This allows us to implement non-iterative perturbation based methods on top of...
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Fe3O4-decorated MXene for the effective removal of 133Ba and 137Cs: synthesis, characterization, and optimization via response surface methodology (RSM)
DOI: 10.1039/D4QI00404C, Research Article
The potential activity of Fe3O4 decorated MXenes in the removal of highly toxic 133Ba and 137Cs using a radioactive indicator method.
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Screening for Urothelial Carcinoma Cells in Urine Based on Digital Holographic Flow Cytometry through Machine Learning and Deep Learning Method
DOI: 10.1039/D3LC00854A, Paper
The incidence of urothelial carcinoma continue to rise annually, particularly among the elderly. Prompt diagnosis and treatment can significantly enhance patient survival and quality of life. Urine cytology remains a...
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Combination of near-infrared spectroscopy and a transient flow method for efficient kinetic analysis of the Claisen rearrangement
DOI: 10.1039/D4RE00301B, Paper
An automated flow reactor with a rapid inline monitoring using a compact near-infrared spectrometer and a flow rate ramp control enabled high-density kinetic data acquisition.
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Insight into the probability of ethoxy(pentafluoro)cyclotriphosphazene (PFPN) as the functional electrolyte additive in lithium–sulfur batteries
DOI: 10.1039/D3RA08379A, Paper
Enhancing the flame retardancy of electrolytes and the stability of lithium anodes is of great significance to improve the safety performance of lithium–sulfur (Li–S) batteries.
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Treatment of carbon electrodes with Ti3C2Tx MXene coating and thermal method for vanadium redox flow batteries: a comparative study
DOI: 10.1039/D4RA01380H, Paper
Treatment of carbon papers with Ti3C2Tx MXene solution for vanadium redox flow batteries.
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Enhanced photocatalytic performance of ZnO under visible light by co-doping of Ta and C using hydrothermal method
DOI: 10.1039/D4RA00579A, Paper
C, Ta-co-doped ZnO nanoparticles (Eg = 2.88 eV), prepared by hydrothermal method, were used as a photocatalyst under visible light to remove organic contaminants in aquatic environments.
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Nanomaterials and methods for cancer therapy: 2D materials, biomolecules, and molecular dynamics simulations
DOI: 10.1039/D4TB01667J, Review Article
Nanomaterials made from 2D semiconductors and biomolecules are reviewed. Cell-nanoparticle interactions are examined in recent simulations. These nanomaterials and MD simulations reveal novel mechanisms and enable cancer drug delivery and targeting.
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Microfluidic methods for the diagnosis of acute respiratory tract infections
DOI: 10.1039/D4AN00957F, Tutorial Review
We review emerging methods for the detection of acute respiratory tract infections using microfluidic technologies.
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The development of a method to produce diagnostic reagents using LaNiO3 nanospheres and their application in nanozyme-linked immunosorbent assay for the colorimetric screening of C-reactive protein with high sensitivity
DOI: 10.1039/D4AN01160K, Paper
LaNiO3 nanosphere-based NLISA has been demonstrated for the first time. The assay enables the CRP effective detection with high sensitivity.
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A time-independent, variational method for studying the photodissociation of triatomic molecules
DOI: 10.1039/D4CP02771J, Paper
The photodissociation of molecules is becoming an increasingly important factor to consider in the evolution of exoplanets' atmospheres orbiting around UV-rich stars, as it leads to the enrichment of atmospheric complexity.
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Comparing coupled cluster and composite quantum chemical methods for computing activation energies and reaction enthalpies of radical propagation reactions
DOI: 10.1039/D4CP03676J, Paper
The accuracy of DLPNO-CCSD(T)/CBS and composite methods G3(MP2)-RAD and CBS-RAD is assessed against CCSD(T)/aug-cc-pVTZ for activation energies and reaction enthalpies in hydrocarbon radical addition reactions relevant to free radical polymerization.
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A combination of experimental and theoretical methods in evaluating triazole derivatives' mild steel corrosion inhibition ability in an acidic solution
DOI: 10.1039/D4CP03537B, Paper
The introduction of many nitrogen heteroatoms into inhibitor molecules improves corrosion inhibition efficiency.
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Self-Healing in Dielectric Capacitors: a Universal Method to Computationally Rate Newly Introduced Energy Storage Designs
DOI: 10.1039/D4CP03988B, Paper
Metalized-film dielectric capacitors provide lump portions of energy on demand. While the capacities of various capacitor designs are comparable in magnitude, their stabilities make a difference. Dielectric breakdowns – micro-discharges...
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Rationalizing polymorphism with local correlation-based methods: a case study of pnictogen molecular crystals
DOI: 10.1039/D4CP03697B, Paper
Combined Hartree–Fock plus London Dispersion (HFLD) and fragment-pairwise Local Energy Decomposition (fp-LED) enables computation of lattice energies, their breakdown into pairwise terms, and assessment of relative stability sources in polymorphs.
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Theoretical and computational methods for tip- and surface-enhanced Raman scattering
DOI: 10.1039/D3CS01070H, Review Article
The effective field Hamiltonian can rigorously treat the quantum interactions between all components of localized optical fields and molecules, which predicts the breakdown of diverse selection rules and extends the application of optical techniques.
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Direct π-extension of a Conjugated Carbon Nanohoop Using a Zipper Method
DOI: 10.1039/D4CC04976D, Communication
The π-extension of carbon nanorings towards ultrashort carbon nanotubes (CNTs) is a great challenge for synthetic chemists. Herein, we report the synthesis, characterization, and properties of a nanographene-embedded carbon nanoring...
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On site portable detection of gaseous I2 using green and pollution-free electrochemical methods
DOI: 10.1039/D4CC05418K, Communication
A poly(ionic liquid) (PIL) probe material that is rich in I2 interaction sites was developed, and a green and pollution-free electrochemical method was used to detect gaseous I2 using PIL-based film sensors.
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A Novel In-Syringe Cloud Point Extraction Method for the Determination of Cadmium and Lead in Human Hair Samples
DOI: 10.1039/D4NJ00335G, Paper
The measurement of contaminant elements, especially cadmium and lead, in biological samples typically requires time-consuming sample preparation methods that consume organic solvents that are harmful to humans and the environment....
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Ultrasound-assisted ionic liquid-mediated green method for synthesis of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidines, their anti-tubercular activity, molecular docking study and ADME predictions
DOI: 10.1039/D4NJ00563E, Paper
The aim of the study is to develop the synthesis of a novel series of potent anti-tubercular (anti-TB) activity of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidine derivatives via an efficient green approach achieved by...
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Queer artist Liactuallee crocheted sculptures and embroidery are on display at Method Bandra
Polish artist Liactuallee celebrates Pride Month with crocheted sculptures and embroidery
Classification, uptake, translocation, and detection methods of nanoparticles in crop plants: a review
DOI: 10.1039/D4EN00059E, Critical Review
Nanotechnology offers a viable solution to enhancing agricultural sustainability by supporting seed germination and crop growth.
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Silver nanoparticle doped laser-induced graphene fabrication methodology affects silver nanoparticle size, distribution, biological and electrochemical properties
DOI: 10.1039/D3EN00371J, Paper
Three fabrication methods for metal-doped laser-induced graphene (LIG) are compared resulting in stable nanoparticles embedded within LIG. Variable nanoparticle size, distribution, antibacterial and electrochemical properties were observed.
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Zn1−xMgxTe and P:Zn1−xMgxTe (x = 0.06–0.25) bulk crystals grown by travelling Te solution method
DOI: 10.1039/D4CE00081A, Paper
Zn1−xMgxTe and P:Zn1−xMgxTe (x = 0.06–0.25) bulk crystals were successfully grown by travelling Te solution method. The segregation of Mg with the growth of crystal is weaken and the as-grown crystal has high homogeneity.
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Study on Raman scattering spectroscopy of Mn-doped GaN grown by the ammonothermal method
DOI: 10.1039/D4CE00093E, Paper
Mn-doped GaN crystals of a-plane and (11−22) plane were grown by the ammonothermal method.
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PFRDA wants Govt depts to fully adopt e-NPS method for onboarding new employees
Adopting ‘e-NPS Government’ method is necessary to align with goals of Centre’s Digital India program, PFRDA tells govt departments
Researchers discover alternate method to study changes during DNA replication process
Flexible keratin hydrogels obtained by a reductive method
DOI: 10.1039/D4QM00449C, Research Article
Keratin derived materials are still underexploited due to the little understanding of their chemical versatility.
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Autocomplete Interview - Method Man Answers The Web's Most Searched Questions
Method Man joins WIRED to answer his most searched questions from Google. Who does he play in Power? Where did he get his name? Is he going on tour any time soon? The hip-hop legend answers all these questions and more!"Power Book II: Ghost” debuts on Friday, June 7, at midnight ET on the STARZ app, coinciding with the 10th Anniversary of Power’s debut on STARZ. Part two premieres on Friday, September 6, at midnight ET on the STARZ app. New episodes premiere every Friday at 8pm on STARZ.Director: Justin WolfsonDirector of Photography: Constantine EconomidesEditor: Evan AllanLine Producer: Joseph BuscemiAssociate Producer: Brandon WhiteProduction Manager: Peter BrunetteTalent Booker: Jenna CaldwellCamera Operator: Christopher EustacheSound Mixer: Lily Van LeuwenProduction Assistant: Sonia ButtPost Production Supervisor: Christian OlguinPost Production Coordinator: Ian BryantSupervising Editor: Doug LarsenAssistant Editor: Billy Ward
A universal synthetic method for preparing nanoassemblies of quantum dots and organic molecules
DOI: 10.1039/D4NH90063D, Editorial
This article highlights the recent work of Biju, Takano et al. (Nanoscale Horiz., 2024, 9, 1128–1136, https://doi.org/10.1039/D4NH00134F) on using a unique bio-catalytic nanoparticle shaping method for preparing mesoscopic particles.
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Prediction methods for Phonon Transport Properties of Inorganic Crystals: from Traditional Approaches to Artificial Intelligence
DOI: 10.1039/D4NH00487F, Review Article
In inorganic crystals, phonons are the elementary excitations describing the collective atomic motions. The study of phonons plays an important role in terms of understanding thermal transport behavior and acoustic...
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A Pb-free Sn–Bi alloy mount preparation method for secondary ion mass spectrometry (SIMS) analyses
DOI: 10.1039/D4JA00252K, Technical Note
Sample preparation is a critical step for in situ analysis. In this study, we proposed an easy-to-prepare Pb-free alloy for sample mount preparation, which is suitable for SIMS water content and isotope analyses.
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Development and application of reference and routine analytical methods providing SI-traceable results for the determination of technology-critical elements in PCB from WEEE
DOI: 10.1039/D4JA00235K, Paper
Development and test of five reference analytical methods and six routine analytical methods providing SI-traceable results of twenty technology-critical elements in end-of-life PCB materials.
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A novel in situ methodology for U–Pb, (U–Th)/He, and fission track triple dating
DOI: 10.1039/D4JA00257A, Paper
For the first time, this paper introduces a general workflow for in situ U–Pb, (U–Th)/He, and fission track triple dating on a single grain.
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Sodium nanoferrite-based solid phase extraction: a green method for the simultaneous determination of cadmium, copper, and lead
DOI: 10.1039/D4JA00210E, Paper
A solid phase extraction (SPE) methodology utilizing sodium ferrite nanoparticles (Na2Fe4O7-NPs; SF-NPs) is presented for the simultaneous determination of heavy metals (HMs) via flame atomic absorption spectrometry (FAAS).
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Research on a bimodal fusion detection method for surface defects of metal AM components based on LIBS
DOI: 10.1039/D4JA00159A, Paper
A bimodal fusion method using Laser-Induced Breakdown Spectroscopy (LIBS) is proposed to identify surface defects in metal additive manufacturing (AM) samples. This method integrates LIBS spectra with plasma image data to enhance defect detection.
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A single-stage purification method for the precise determination of zirconium isotopic composition in geological samples by double spike MC-ICP-MS
DOI: 10.1039/D4JA00332B, Paper
A simple, fast and efficient column separation method for extracting Zr from geological sample matrices using DGA resin.
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A simple method for elemental analysis of liquids in sprayed microdroplets by laser-induced breakdown spectroscopy
DOI: 10.1039/D4JA00192C, Paper
The study shows that paper spray and laser-induced breakdown spectroscopy (PS-LIBS) analyze trace elements in aqueous solutions, addressing challenges in bulk analysis. Its efficiency highlights its potential for in situ liquid sample analysis.
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High-precision MC-ICP-MS measurements of Cd isotopes using a novel double spike method without Sn isobaric interference
DOI: 10.1039/D4JA00357H, Paper
Previous studies have reported that even low concentrations of Sn can lead to biased Cd isotopic measurements using MC-ICP-MS. In this paper, we propose a novel method of Cd isotopic...
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Dual solar-driven hydrogen evolution and alcohol oxidation with CdS quantum dot-sensitized photocatalysts prepared by the SILAR methodology
DOI: 10.1039/D4TA03559C, Paper
The first use of the successive ionic layer adsorption and reaction (SILAR) method to grow CdS quantum dots on TiO2 nanoparticles, achieving efficient photocatalytic alcohol oxidation and H2 evolution without catalysts or sacrificial donors.
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Development and application of Few-shot learning methods in materials science under data scarcity
DOI: 10.1039/D4TA06452F, Review Article
Machine learning, as a significant branch of artificial intelligence, shortens the cycle of material discovery and synthesis by exploring the characteristics of data.
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Methods to Create Amazing Interracial Marriages
A marriage between a couple of different backrounds can be a beautiful and rewarding encounter, however it is not really without its obstacles. It is important just for couples to keep yourself informed of these possible risks and take the necessary precautions in order to avoid them. A new study from University of Washington found […]
Using the Engineering Method to Teach Important Thinking and Problem-Solving Skills to Vibrant Minds
The technological innovation process is acknowledged as a sequence of procedures that engineers follow to find the best solution to a problem. That allows designers to use math concepts, applied research and technological innovation sciences to obtain a high level of optimization that meets the requirements of an goal. The steps incorporate defining the situation, […]
Methods to Manage an information Room meant for M&A Trades
A Data Space is a protect, centralized site for posting information and documents with multiple stakeholders related to a small business transaction. These types of transactions can easily involve M&A or be for every other business activity that will need the transfer of very sensitive data to parties beyond the organization. Handling these trades can […]
Investigation of 3,4-ethylenedioxythiophene and 3,4-dimethoxythiophene as linkage units for multi-dimensional dimeric acceptors
DOI: 10.1039/D4TC03646H, Paper
Despite the versatile processibility of three-dimensional CH8 series acceptors in efficient organic solar cells (OSCs), understanding the relationship between linkage units and performance continues to present significant challenges. To address...
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