Article
Physics, Multidisciplinary
Joseph P. Duris, James P. MacArthur, James M. Glownia, Siqi Li, Sharon Vetter, Alan Miahnahri, Ryan Coffee, Philippe Hering, Alan Fry, Marc E. Welch, Alberto Lutman, Franz-Josef Decker, Dorian Bohler, Jeremy A. Mock, Chengcheng Xu, Karl Gumerlock, Justin E. May, Antonio Cedillos, Eugene Kraft, Manuel A. Carrasco, Brian E. Smith, Logan R. Chieffo, Joseph Z. Xu, James P. Cryan, Zhirong Huang, Alexander Zholents, Agostino Marinelli
Summary: The article describes the optical compression of an electron beam and the production of controllable trains of femtosecond, soft x-ray pulses using the Linac Coherent Light Source (LCLS) free-electron laser (FEL). Enhanced self-amplified spontaneous emission with a 2 mu m laser and a dechirper device were utilized to achieve this. The number of pulses within the pulse train can be controlled by varying the dechirper position and undulator taper, showing promise for future FEL schemes.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Hajar Mahmoudi, Abdel El Kharbachi, Hassan Safari, Abbas Ali Jafari
Summary: In this work, hybrid tetrathiafulvalene-benzothiadiazole (TTF-BTD) compounds were designed and investigated as metal-free photocatalysts for hydrogen production under visible light. The study focused on the effect of various functional groups on the band gap and photocatalytic performance. The results showed that the COOMe-TTF-CN-BTD photocatalyst exhibited high hydrogen evolution rate under visible light, and the efficiency was affected by factors such as pH and sacrificial agent.
Article
Materials Science, Multidisciplinary
Witold Chrominski, Malgorzata Lewandowska
Summary: Thermo-mechanical treatment is an important tool for designing properties of aluminum alloys. This study investigates a complex procedure to increase the mechanical strength of Al-Mg-Si alloy beyond conventional levels by introducing interlayer boundaries through plastic deformation and healing the microstructure while maintaining deformation-related features. The precipitation processes vary depending on the placement of solution treatment, but the final hardness is always increased compared to typical heat treatment. Observations using transmission electron microscope study the variations in nucleation and growth of strengthening phases.
MATERIALS & DESIGN
(2022)
Article
Engineering, Mechanical
Rui Wang, Cheng Lu, Bradley Davis, Che Zhang, Jiaqing Li, Kiet A. Tieu, Azdiar A. Gazder
Summary: This study successfully applied accumulative skin pass rolling (ASPR) technique to produce gradient microstructures in copper, increasing yield strength while maintaining high uniform elongation. Finite element analysis showed the potential of ASPR as a promising new strategy for continuous fabrication of sheets with gradient microstructures.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2021)
Article
Chemistry, Physical
Foudhil Bouakline
Summary: Ammonia's umbrella inversion is a prototypical example of large-amplitude vibrational motion with a symmetric double-well potential, involving the coherent, anharmonic vibrational motion of the nitrogen atom shuttling back and forth between two potential wells. However, the intuitive view of umbrella inversion results from a reduced description of dynamics that neglects other molecular degrees of freedom. A correct description of umbrella inversion includes nuclear permutations and the quantum symmetrization postulate, leading to entanglement between ammonia's nuclear-spin, inversion, and rotation.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Jan M. M. van Ruitenbeek, Richard Korytar, Ferdinand Evers
Summary: By introducing a simple model system, we have found that chirality-induced spin selectivity can be understood as the result of constructive interference of partial waves scattered by the spin-orbit terms. Forward scattering rates are found to be independent of spin, while back scattering is spin dependent over wide energy windows.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Metallurgy & Metallurgical Engineering
Ling Ou, Lin-yan LI, Cai-he Fan, Yu-feng Nie, Jian-jun Yang
Summary: To achieve a good balance between strength and ductility, 6061 Al alloy plates were processed through cross accumulative roll bonding (CARB) at room temperature. The CARB specimens showed significantly higher ultimate tensile strength and elongation compared to those processed through ARB. This improvement is attributed to the smaller grain size, higher dislocation density, and weaker rolling texture in the CARB samples.
TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA
(2023)
Article
Multidisciplinary Sciences
Nicholas Pearce, Katherine E. A. Reynolds, Surajit Kayal, Xue Z. Sun, E. Stephen Davies, Ferdinando Malagreca, Christian J. Schuermann, Sho Ito, Akihito Yamano, Stephen P. Argent, Michael W. George, Neil R. Champness
Summary: This study demonstrates the ability to control photoinduced charge transfer within homo- and hetero-rotaxanes through the organization of the components of mechanically interlocked molecules, introducing alternative pathways for electron donation.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Eric Vogelsberg, Marco Moors, Anastasia S. Sorokina, Dmitry A. Ryndyk, Sebastian Schmitz, Jessica S. Freitag, Anastasia V. Subbotina, Thomas Heine, Bernd Abel, Kirill Yu. Monakhov
Summary: We present a chemically programmed design and switching characteristics of a functional metal-DNA-origami-polyoxometalate (POM) material synthesized through solution-processing. The DNA origami acts as a carrier structure, controlling the hybridization of six-helix bundle (6HB) positions with DNA-augmented POV6 units on a gold surface. The electron acceptance and injection into the non-conducting DNA structure and release to the gold substrate depend on the potential at the nanoscale tip and the oxidation state of POV6.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Physical
Clemens Vittmann, R. Kevin Kessing, James Lim, Susana F. Huelga, Martin B. Plenio
Summary: This study investigates the nonequilibrium dynamics of electron transmission from a straight waveguide to a helix with spin-orbit coupling. Transmission is found to be spin-selective, leading to large spin polarizations of the itinerant electrons. The degree of spin selectivity depends on the width of the interface region, and no polarization is observed for single-point couplings. The study identifies interface structure and conservation of momentum as crucial factors for chiral-induced spin selectivity, and confirms the robustness of this mechanism against static disorder.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Materials Science, Multidisciplinary
Bingyu Qian, Haipeng Zheng, Ruizhi Wu, Legan Hou, Jinghuai Zhang, Jianfeng Sun
Summary: Mg-14Li-3Al-2Gd sheets were prepared by four-layer accumulative roll bonding (FARB) process and the grain size was refined through continuous dynamic recrystallization (CDRX) mechanism. The introduction of interlayer interfaces during FARB process significantly affected the CDRX behavior, with the interface spacing decreasing as the FARB cycles increased. The small interface spacing resulted in the formation of lath-shaped substructures, while large interface spacing led to the formation of equiaxed substructures and division of deformed grains.
JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE
(2022)
Article
Agronomy
Can Wang, Xueqin Liu, Xiaoshuai Hao, Yongpeng Pan, Chunmei Zong, Weiying Zeng, Wubin Wang, Guangnan Xing, Jianbo He, Junyi Gai
Summary: This study aimed to analyze the effects of cumulative day length and cumulative active temperature on the process of sowing to flowering and flowering to maturity in global soybeans. The results showed that both cumulative day length and cumulative active temperature had significant impacts on the two processes, and their importance varied among different geographic and maturity group subpopulations.
Article
Quantum Science & Technology
X. Alauze, J. Lim, M. A. Trigatzis, S. Swarbrick, F. J. Collings, N. J. Fitch, B. E. Sauer, M. R. Tarbutt
Summary: Two-dimensional transverse laser cooling is utilized to create an ultracold YbF molecule beam, significantly increasing brightness and allowing for precise experiments with a statistical precision better than 10(-30) e cm, particularly for measuring the electron electric dipole moment.
QUANTUM SCIENCE AND TECHNOLOGY
(2021)
Article
Chemistry, Physical
Takahito Nakajima, Kimihiko Hirao, Bun Chan
Summary: This study generalizes Slater's transition state concept by deriving systematic higher-order transition state approximations, showing that the third-order generalized transition state (GTS3) approximation is a promising alternative due to its balance between accuracy and computational cost.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Hamed Roghani, Ehsan Borhani, Hamid Reza Jafarian
Summary: In this study, Al-CuO nanocomposite was successfully prepared through the addition of CuO nanoparticles and up to six accumulative roll bonding (ARB) process cycles. After 6 cycles of ARB treatment, the mean grain size of the specimens decreased significantly, while the ultimate tensile strength and microhardness increased substantially. The Al-CuO composite exhibited higher resistance to rapid annealing between ARB cycles.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2021)
Article
Chemistry, Organic
Assem Barakat, Matti Haukka, Saied M. Soliman, Abdullah Mohammed Al-Majid, M. Ali, Mohammad Shahidul Islam, Abdulnasser Mahmoud Karami, Zaheer Ul-Haq, Luis R. Domingo
Summary: A combined experimental and theoretical study was conducted on a newly synthesized compound based on spirooxindole and thiochromene. The study revealed the importance of intermolecular interactions in crystal stability, and predicted the electronic properties and chemical shifts using computational methods. Furthermore, the compound exhibited anti-cancer activity.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Nanoscience & Nanotechnology
Jinghai Li, Adara Babuji, Lamiaa Fijahi, Ann Maria James, Roland Resel, Tommaso Salzillo, Raphael Pfattner, Carmen Ocal, Esther Barrena, Marta Mas-Torrent
Summary: In this study, it was found that contact resistance and charge trapping are two key obstacles that negatively affect the performance of organic field-effect transistors (OFETs). By using CH3CN vapor annealing and doping procedures, the interfacial shallow traps and deeper traps in the organic semiconductor (OSC) film can be effectively reduced, resulting in a significant reduction of contact resistance. Moreover, the devices treated with I2/CH3CN demonstrate ideal electrical characteristics with negligible levels of shallow/deep traps and highly gate-independent mobility. Therefore, this work highlights the promising synergistic effects of simultaneous solvent vapor annealing and doping, which can effectively eliminate contact resistance problems in OSC films.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Oncology
Annette G. Beck-Sickinger, Daniel P. Becker, Oksana Chepurna, Bhaskar Das, Sebastian Flieger, Evamarie Hey-Hawkins, Narayan Hosmane, Satish S. Jalisatgi, Hiroyuki Nakamura, Rameshwar Patil, Maria da Graca H. Vicente, Clara Vinas
Summary: This article summarizes current research on the development of boron delivery drugs for boron neutron capture therapy, which were presented and discussed at the National Cancer Institute (NCI) Workshop on Neutron Capture Therapy held on April 20-22, 2022. The most commonly used boron sources are icosahedral boron clusters attached to various molecules such as peptides, proteins, porphyrin derivatives, dendrimers, polymers, and nanoparticles, as well as encapsulated into liposomes. These boron clusters and/or carriers can be labeled with contrast agents, allowing for imaging techniques like PET, SPECT, and fluorescence to quantify tumor-localized boron and serve as theranostic agents.
CANCER BIOTHERAPY AND RADIOPHARMACEUTICALS
(2023)
Article
Crystallography
Eid E. Salama, Mohamed F. Youssef, Ahmed T. A. Boraei, Matti Haukka, Saied M. Soliman, Assem Barakat, Ahmed A. M. Sarhan
Summary: The regiospecific allylation and benzylation reactions of two 4-aryl-5-indolyl-1,2,4-triazole-3-thione precursors were carried out using different bases. Allyl group migration was achieved through thermal fusion without catalysts, while stronger base K2CO3 was used for allylation. The structures of the synthesized compounds were analyzed through X-ray diffraction and Hirshfeld calculations, revealing the molecular packing and non-covalent interactions.
Article
Chemistry, Inorganic & Nuclear
Eman M. Fathalla, Morsy A. M. Abu-Youssef, Mona M. Sharaf, Ayman El-Faham, Assem Barakat, Matti Haukka, Saied M. Soliman
Summary: Two complexes, [Ni(DPPT)(2)](NO3)(2)*1.5H(2)O (1) and [Ni(DPPT)(NO3)Cl].EtOH (2), were synthesized using the self-assembly of (E)-2,4-di(piperidin-1-yl)-6-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)-1,3,5-triazine (DPPT) with Ni(NO3)(2)*6H(2)O in the absence and presence of NiCl2*6H(2)O, respectively. Both complexes have neutral tridentate DPPT ligands coordinated to Ni(II) ions. Rating: 7/10
Article
Chemistry, Inorganic & Nuclear
Kholood A. A. Dahlous, Saied M. M. Soliman, Matti Haukka, Ayman El-Faham, Raghdaa A. A. Massoud
Summary: A new 1D Ni(II) coordination polymer was synthesized using NiSO4 center dot 6H(2)O, 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine (BPT), and SCN- as a linker. The polymer showed potential as an antibacterial and antifungal agent, with cytotoxic activities against HepG-2 and A-549 cell lines.
Article
Chemistry, Inorganic & Nuclear
Eman M. Fathalla, Morsy A. M. Abu-Youssef, Mona M. Sharaf, Ayman El-Faham, Assem Barakat, Matti Haukka, Saied M. Soliman
Summary: Two new Ni(II) complexes, [Ni(DMPT)(H2O)3](NO3)2.3H2O (1) and [Ni(DMPT)(H2O)3](NO3)2.H2O (2), were successfully synthesized using the hydrazine s-triazine ligand (E)-4,4'-(6-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)-1,3,5-triazine-2,4-diyl)dimorpholine (DMPT) and a one-pot synthesis strategy. The structures of the complexes were characterized by elemental analysis, FTIR, and single-crystal X-ray diffraction analysis. The DMPT ligand acts as a tridentate NNN-chelate via three Ni-N coordination interactions, and the coordination sphere of the Ni(II) ion is completed by three water molecules. Both complexes exhibit distorted octahedral geometry. The crystal packing of the complexes is driven by strong O... H interactions, attributed to the presence of nitrate anions and water molecules. Complex 1 showed antimicrobial activity against both Gram-negative and Gram-positive bacterial strains, while the free ligand was inactive against all microbial species.
Article
Crystallography
Saied M. Soliman, Hessa H. Al-Rasheed, Sarah A. AL-khamis, Matti Haukka, Ayman El-Faham
Summary: Two dinuclear Cd(II) complexes with distorted coordination geometries were synthesized and their structures were determined by single crystal X-ray diffraction. The supramolecular aspects of the complexes were analyzed and the important contacts in their molecular packing were identified.
Article
Crystallography
Ahmed T. A. Boraei, Elsayed H. Eltamany, Matti Haukka, Saied M. Soliman, Assem Barakat, Manar Sopaih
Summary: The hit compound 1,2,4-triazolo[4',3':2,3]pyridazino[4,5-b]indole 3 was successfully synthesized from the reflux reaction of 4-amino-5-indolyl-1,2,4-triazole-3-thione 1 with 4'-bromoacetophenone 2 in methanol catalyzed by concentrated HCl. The structures of compounds 1 and 3 were confirmed by X-ray single crystal diffraction analysis, and both compounds exhibited twisted conformations between the triazole and indole rings, with a larger twist angle observed in compound 3.
Article
Crystallography
Abdulmajeed Abdullah Alayyaf, Assem Barakat, Abdullah Mohammed Al-Majid, M. Ali, Sammer Yousuf, Matti Haukka, Ayman El-Faham, Saied M. Soliman, Mohamed S. Nafie
Summary: The synthesis and X-ray structure analysis of a new [PdLCl-2]*0.5 CH2Cl2 complex with potential anti-breast cancer activity were presented. The complex exhibited a tetra-coordinated Pd(II) with a distorted square planar geometry. It showed potent cytotoxic activity against MCF-7, HepG2, and A549 cells.
Article
Chemistry, Inorganic & Nuclear
Mezna Saleh Altowyan, Matti Haukka, Mohammed Salah Ayoup, Magda M. F. Ismail, Nagwan G. El Menofy, Saied M. Soliman, Assem Barakat, Mona M. Sharaf, Morsy A. M. Abu-Youssef, Amal Yousri
Summary: The complex [Co(L)(H2O)4](NO3)2 of (E)-4-(2-(3-methyl-5-oxo-1-(pyridin-2-yl)-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-N-(pyrimidin-2-yl)benzenesulfonamide was synthesized and its molecular and supramolecular structures were analyzed. The antibacterial efficacy of the complex and the free ligand were also assessed.
Article
Chemistry, Inorganic & Nuclear
Mostafa A. El-Naggar, Hessa H. Al-Rasheed, Sarah A. AL-khamis, Ayman El-Faham, Morsy A. M. Abu-Youssef, Matti Haukka, Assem Barakat, Mona M. Sharaf, Saied M. Soliman
Summary: A new Ag(I) adduct with strong anticancer and antibacterial activities was synthesized. The chemical structure of the adduct was determined using elemental analysis, FTIR spectra, and single crystal X-ray diffraction. The adduct contains two independent silver atoms which are coordinated differently depending on the presence of nitrate anions.
Article
Chemistry, Inorganic & Nuclear
Mostafa A. El-Naggar, Morsy A. M. Abu-Youssef, Matti Haukka, Assem Barakat, Mona M. Sharaf, Saied M. Soliman
Summary: The [Ag(3ADMT)(NO3)](n) complex was synthesized and studied for its structure and properties. The complex exhibited promising cytotoxicity against lung and breast carcinomas, as well as high antibacterial potency against certain bacteria. These findings suggest the potential application of the complex in the fields of anticancer and antimicrobial research.
Article
Chemistry, Inorganic & Nuclear
Saied M. Soliman, Eman M. Fathalla, Mona M. Sharaf, Ayman El-Faham, Assem Barakat, Matti Haukka, Alexandra M. Z. Slawin, John Derek Woollins, Morsy A. M. Abu-Youssef
Summary: This article introduces a new Co(II) perchlorate complex with the ligand 4,4'-(6-(1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine (BMBIT). The structure of the complex is confirmed using single-crystal X-ray diffraction. The complex has distorted octahedral coordination geometry with two BMBIT ligand units and four water molecules as monodentate ligands. The complex exhibits good antifungal activity and broad spectrum antimicrobial action.
Article
Chemistry, Multidisciplinary
Amal Yousri, Matti Haukka, Morsy A. M. Abu-Youssef, Mohammed Salah Ayoup, Magda M. F. Ismail, Nagwan G. El Menofy, Saied M. Soliman, Assem Barakat, Francoise M. Amombo Noa, Lars Ohrstrom
Summary: In this study, two compounds were prepared and studied for their structures and antimicrobial activities. Compound 1 is a monomeric complex with Ag(I) coordinated to two 5-nitroquinoline ligands, while compound 2 is a 2D coordination polymer with Ag(I) coordinated to two quinoline-3-carbonitrile ligands and two water molecules. Hirshfeld surface analysis confirmed the importance of polar F···H and O···H interactions in the molecular packing. Antimicrobial activity testing showed that compound 1 and 2 exhibit stronger antifungal activity against C. albicans than their free ligands.