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Synthesis, Crystal Structure, Spectroscopic Characterization,and Computational Insights into a5,6,7,8-Tetrahydroisoquinoline Derivative withNaphthyl Substituent

Research Abstract

The chemical reaction of 7-acetyl-6-hydroxy-3-mercapto-1,6-dimethyl-8-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile withN-(naphthalene-1-yl)-2-chloroacetamide in ethanol in the presence ofanhydrous sodium acetate results in the synthesis of a5,6,7,8-tetrahydroisoquinoline derivative with name7-Acetyl-4-cyano-1,6-dimethyl-6-hydroxy-8-phenyl-3-[N-(naphthalen-1-yl)carbamoylmethylthio]-5,6,7,8-tetrahydroisoquinoline (ACCT). Thesynthesized compound is characterized by FT-IR, 1 H, and 13 C NMRspectroscopy. Furthermore, the crystal structure is verified by single crystalX-ray diffraction (XRD), which shows that the molecular configuration ofACCT is stabilized by N─H … N bonding. Infinite C(11) molecular chains areformed by O─H … O bonding that runs along the b-axis, and consecutivechains are further interlinked by C─H … O bonding. Hirshfeld surfaceanalysis reveals the role of intermolecular interaction in crystal packing, whereH … H and C—H … O interactions have notable percentage contributions.Dispersioninteractions provides the dominant stabilization forsupramolecular assembly, followed in significance by electrostaticinteractions. Electronic structure calculations and aromaticity analysis revealthe reactivity of the synthesized compound at the M062x/def2tzvp method.With the help of DFT simulations, the crucial role of van der Waals forces andcharge transfer in modifying optical and non-linear optical (NLO) propertieshas been underscored. Ab initio molecular dynamics study reveals thethermodynamic and kinetic behavior at room temperature.

Research Authors
Shaaban K. Mohamed, Atazaz Ahsin, Muhammad Ashfaq, Aziz B. Ibragimov,Etify A. Bakhite, Esraa Khamies, Awad I. Said, Hatem A. Abuelizz, Rashad Al-Salahi,and Youness El Bakri
Research Date
Research Department
Research Journal
CRYSTAL RESEARCH AND TECHNOLOGY
Research Pages
e70050
Research Publisher
Wiley. Online Library
Research Vol
60
Research Website
https://onlinelibrary.wiley.com/doi/epdf/10.1002/crat.70050
Research Year
2025

Design, synthesis, and antimicrobial evaluation of newly developed pyridine and pyrimidine derivatives derived from enaminones

Research Abstract

Enaminones have garnered significant attention because of their unique properties and their importance in synthetic chemistry as highly versatile building blocks. In this study, a novel series of heterocyclic compounds based on pyridine and pyrimidine scaffolds was synthesized through the reactions of enaminones 2 with nitriles and various ammonia derivatives. The structures of the newly synthesized compounds were confirmed using multiple spectroscopic techniques, including IR, ¹H-NMR, ¹³C-NMR, and MS, as well as elemental analysis. Evaluation of the antimicrobial activity of these heterocycles demonstrated notable potency, particularly among the pyrimidine analogues.

Research Authors
Ahmed Abdou O. Abeed
Research Date
Research Department
Research Journal
Arkivoc
Research Pages
202512523
Research Website
https://scholar.google.com.eg/scholar?oi=bibs&cluster=1777709404125944157&btnI=1&hl=en
Research Year
2025

Efficiency of mining rock wastes in the removal of toxic heavy metal ions (Pb²⁺, Cu²⁺, and Cd²⁺) from contaminated water solutions

Research Abstract

The Abu Tartur Plateau in the Western Desert of Egypt hosts the largest phosphate mining operation in the Middle East. Mining activities in this area generate several million tons annually of overburden waste materials, including carbonate, black shale, siltstone, glauconite, and sandstone. In the present study, phosphatic dolomite (PD) and black shale were collected from these mining wastes. Phosphatic dolomite, along with sodalite-based phosphatic dolomite (SBPD) synthesized from calcined phosphatic dolomite (CPD) and black shale, were evaluated as low-cost adsorbents for the removal of heavy metals (Pb²⁺, Cu²⁺, and Cd²⁺) from synthetic wastewater. Heavy metal contamination, particularly by Cd, Pb, and Cu, represents a major global environmental challenge. Among the available remediation techniques, adsorption is widely considered one of the most effective approaches due to its environmental sustainability, economic feasibility, and operational simplicity. The materials (PD, CPD, and SBPD) were characterized by using X-ray fluorescence (XRF), X-ray diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), Scanning Electron Microscopy (SEM) and BET surface
area. Key adsorption parameters—including adsorbent dosage, pH, initial metal concentration,
and contact time—were systematically investigated for Pb²⁺, Cu²⁺, and Cd²⁺ removal. The optimal
adsorption performance for SBPD was achieved using a dosage of 0.2 g for Pb²⁺ and Cd²⁺, whereas PD showed optimal removal efficiencies at 0.3 g for Pb²⁺ and 0.6 g for Cu²⁺. Both adsorbents exhibited a preferential removal order of Pb²⁺ > Cu²⁺ > Cd²⁺. Kinetic and isotherm models were applied to interpret the adsorption mechanisms. The results of the present study confirm that sodalite based phosphatic dolomite (SBPD) exhibited higher metal removal efficiency than unmodified phosphatic dolomite (PD).

Research Authors
Aya T. Fathy, Mohamed A. Moneim, Fatma M. Dardir, Abdalla M. El Ayyat & Ezzat A. Ahmed
Research Date
Research Department
Research Journal
Scientific Reports
Research Pages
19
Research Vol
16:17343
Research Website
https://www.nature.com/articles/s41598-026-48461-y
Research Year
2026

Elliptic anisotropy measurement of the f0(980) hadron in proton-lead collisions and evidence for its quark-antiquark composition

Research Authors
The CMS Collaboration
Research Date
Research Department
Research Journal
Nature communications
Research Pages
7990
Research Publisher
Nature Publishing Group UK
Research Vol
16
Research Website
https://www.nature.com/articles/s41467-025-56200-6
Research Year
2025

Search for charged lepton flavor violating Z and Z' boson decays in proton-proton collisions at √s = 13 TeV

Research Authors
CMS Collaboration
Research Date
Research Department
Research Journal
PHYSICAL REVIEW D
Research Pages
112011
Research Publisher
American Physical Society
Research Vol
112
Research Website
https://journals.aps.org/prd/abstract/10.1103/8lw4-6lyk
Research Year
2025

Search for the Rare Decay D0 → μ + μ − in Proton-Proton Collisions at √s = 13.6 TeV

Research Authors
CMS Collaboration
Research Date
Research Department
Research File
Research Journal
Physical Review Letters
Research Pages
151803
Research Publisher
American Physical Society
Research Vol
135
Research Website
https://journals.aps.org/prl/abstract/10.1103/zc76-rgcp
Research Year
2025

Exploring the role of Arthrospira platensis and earthworms (Lumbricus castaneus) biosystem in mitigating antimony toxicity and enhancing the biochemical properties of cucurbit plants

Research Abstract

ABSTRACT Keywords: Antimony Antioxidants Arthrospira platensis Cucurbit Chelation mechanism Earthworm The rising industrial use of antimony (Sb) has led to its widespread pollution, negatively impacting plant growth as an emerging pollutant. Limited studies have explored the integrated biosystems involving Arthrospira platensis (AP) and/or earthworms (EW) on cucurbit plants under Sb-stress. This study uncovered the toxicity of three levels of ‘Sb’ on soil characters and biochemical changes of cucurbit leaves with/without EW and/or AP. The GC- mass analysis of AP-extract documented the presence of 33 bioactive compounds; including 11,13-dimethyl-12- tetradecen-1-ol acetate, lanostane-7,11-dione, 3-(acetyloxy)-, erucic acid, cis-10-nonadecenoic acid, cis-vaccenic acid, oleic acid, and others which have antioxidative and growth-promoting properties. Earthworms isolated from Sb-contaminated soils showed severe morphological and ultrastructure changes in skin and overall worm’s body. However, the integrated biosystem alleviated the impacts of ‘Sb’ on earthworms and cucurbits compared to their single application. Supplementation of bioagents to Sb-stressed soils improved plant growth and photosynthetic pigments content of cucurbits. This was achieved by modulating the foliar and soil content of essential elements and restricting ‘Sb’ accumulation in leaves. These changes maintained relative water content and osmotic balance in the cell along with increasing the activities of carbonic anhydride and nitrate reductase. Moreover, AP and/or EW application associated with up-regulation of Sb-chelation chaperones and increasing the activity of glutathione-S-transferase, phenylalanine ammonialyase, and lignin accumulation. Furthermore, heatmap and principal component analyses showed a positive response of hydrogen sulfide, secondary metabolites, and antioxidants which reduced nitro-oxidative stress and membrane damage criteria of Sb-stressed plants-received bioagents. All these up-regulations of the used applicants improved the tolerance of cucurbit plants against Sb-stress, increased the shoot growth, root development, and reduced the chlorosis of leaves. The present investigation highly recommended using A. platensis and earthworms as green technologies to enhance the plant tolerance against ‘Sb’ or may be other emergent pollutants.

Research Authors
Mona FA. Dawood a,* Abeer H. Makhlouf f , Yasser S.A. Mazrou b , Mohamed S. Sheteiwy , Fatma El-Zahraa A. Abd El-Aziz g c,d , Yasser Nehela , Awatief F. Hifney
Research Date
Research Journal
Plant Physiology and Biochemistry
Research Pages
20
Research Publisher
https://doi.org/10.1016/j.plaphy.2025.110096
Research Vol
https://doi.org/10.1016/j.plaphy.2025.110096
Research Website
https://www.elsevier.com/locate/plaphy
Research Year
2025

Defect landscape engineering suppresses helium damage in ceramics

Research Abstract

Helium accumulation in structural ceramics used in nuclear, fusion, and aerospace systems causes swelling, cracking, and early failure, yet controlling this damage has remained elusive. Here, we introduce defect landscape engineering, the deliberate creation of vacancy clusters prior to helium exposure, as a general strategy to suppress helium-induced degradation. Using α-SiC as a model, we combine advanced microscopy, strain mapping, helium depth profiling, positron annihilation spectroscopy, and atomistic simulations to demonstrate that tailored pre-damage transforms helium defect evolution. Instead of forming extended platelets and nanocracks, helium is trapped in stable, uniformly dispersed nanobubbles. Simulations reveal that small vacancy clusters act as dual-function sinks for irradiation-induced interstitials and preferential traps for helium, fundamentally altering the dynamics of cascade recombination. This mechanism is composition-independent and scalable, offering a new design principle for radiation-tolerant ceramics across carbides, nitrides, and oxides. By viewing defect control as a tunable parameter instead of a fixed material property, this work outlines a possible design route toward enhanced radiation tolerance in ceramics used in extreme environments.

Research Authors
Nabil Daghbouj, Ahmed Tamer AlMotasem, Bingsheng Li, Vladimir Krsjak, Jan Duchoň, Fang Ge, Maciej Oskar Liedke, Andreas Wagner, Mohamed Bensalem, Fateh Bahadur, Frans Munnik, Miroslav Karlik, Anna Macková, Tomas Polcar, William J Weber
Research Date
Research Department
Research Journal
Communcations Materials
Research Pages
97
Research Publisher
Nature Group
Research Rank
Q1
Research Vol
7
Research Website
https://www.nature.com/articles/s43246-026-01083-3
Research Year
2026
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