Article
Physics, Applied
Debabrata Biswas
Summary: This study investigates the factors that affect the accuracy of cold field emission current in contemporary frameworks. It is found that the primary source of error lies in the choice of the energy at which the Taylor expansion is done, but not as much on the method used to approximate the Gamow factor. By selecting an appropriate linearization energy and implementing the Kemble correction, errors can be restricted to below 3% across a wide range of local fields.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Agricultural Engineering
Philippe Gle, Thibaut Lecompte, Arthur Hellouin de Menibus, Helene Lenormand, Santiago Arufe, Camille Chateau, Vanessa Fierro, Alain Celzard
Summary: The paper discusses the packing of plant particles for building applications, measuring densities, porosities, water absorption, mechanical compression, and thermal and acoustic behaviors. Experimental methods including pycnometry, mercury intrusion, and X-ray computed tomography were used to characterize these parameters, revealing correlations between physical properties and behaviors of the hemp particles.
INDUSTRIAL CROPS AND PRODUCTS
(2021)
Article
Chemistry, Multidisciplinary
Shivam Rawat, Thangavel Boobalan, Bhavya B. Krishna, Marappan Sathish, Srinivas Hotha, Thallada Bhaskar
Summary: This study evaluated the charge storage performance of biochar prepared from different feedstocks in supercapacitors. The biochar derived from Litchi seeds showed the highest specific capacitance, attributed to its higher N and O heteroatom functionalities, specific surface area, and pore volume.
CHEMISTRY-AN ASIAN JOURNAL
(2022)
Article
Astronomy & Astrophysics
X. F. Dong, X. J. Li, Z. B. Zhang, X. L. Zhang
Summary: This work investigates the dependence of luminosity function and event rates on sample selection and threshold effect for different gamma-ray burst samples. The study finds that the evolution of luminosity with redshift is influenced by sample selection, and the cumulative distributions of non-evolving luminosities and redshifts are determined by sample selection rather than instrumental sensitivity. The event rates of the burst samples evolve similarly with redshift, except for a discrepancy at low redshift. The burst rates violate the star formation rate at low redshift, but are consistent at higher redshift.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
(2022)
Article
Biochemistry & Molecular Biology
Elisabetta Esposito, Laura Calderan, Andrea Galvan, Enrica Cappellozza, Markus Drechsler, Paolo Mariani, Alessia Pepe, Maddalena Sguizzato, Enrico Vigato, Edoardo Dalla Pozza, Manuela Malatesta
Summary: This study investigated the transdermal fate of ethosomes and transethosomes on human skin. The results showed that the vesicle penetration capability was influenced by their physical-chemical features, with different vesicles reaching different levels of the skin. This offers potential for tailored transdermal drug delivery based on specific cutaneous pathologies.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Emilie S. Vosegaard, Jakob V. Ahlburg, Lennard Krause, Bo B. Iversen
Summary: This study compares five different electron density datasets obtained from conventional and synchrotron single crystal X-ray diffraction experiments. The results show that the new laboratory X-ray diffractometers with advanced pixel detector technology measure data with significantly less noise and much higher reliability, providing densities of higher quality.
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS
(2023)
Article
Chemistry, Organic
Zhiwei Zeng, Wei Huang, Yuji Liu, Yongxing Tang
Summary: This study investigates the possibility of N-H bond cleavage in different functionalized pyrazoles to produce nitrogen-centered radicals through density functional theory calculations. It successfully synthesizes N-N bridged compounds and studies their molecular stability.
JOURNAL OF HETEROCYCLIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Robert Benda, Eric Cances, Virginie Ehrlacher, Benjamin Stamm
Summary: This article aims to analyze existing schemes for partitioning molecular density into atomic contributions using a mathematical perspective, with a specific focus on Iterative Stockholder Atom (ISA) methods. A new scheme called L-ISA is proposed, which expands on the additive variational Hirshfeld method. The mathematical properties of ISA and L-ISA minimization problems are proven, showing that ISA algorithms can be seen as alternating minimization schemes. Additionally, specific mathematical properties of ISA decomposition for diatomic systems are presented, with numerical results illustrating the proven mathematical properties.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Nanoscience & Nanotechnology
Vanessa Miss, Asvitha Ramanayagam, Bernhard Roling
Summary: The performance of bulk-type all-solid-state Li batteries heavily relies on the contacts between cathode active material (CAM) particles and solid electrolyte (SE) particles, which determines the Li+ exchange current density at the CAM | SE interfaces. However, there is still a lack of experimental studies on Li+ exchange current densities due to a poor understanding of the impedance spectra of all-solid-state Li batteries. By conducting a comparative case study using different active materials and applying stack pressures, it has been found that the Li+ exchange current densities in all-solid-state Li batteries can compete with or even exceed those at liquid electrolyte interfaces.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Polymer Science
Rachel Cordeiro, Rui D. D. Alvites, Ana C. C. Sousa, Bruna Lopes, Patricia Sousa, Ana C. C. Mauricio, Nuno Alves, Carla Moura
Summary: Osteoarthritis is a prevalent disease causing cartilage loss, and tissue engineering with different cellulose incorporated poly(epsilon-caprolactone) (PCL) scaffolds shows promise for its repair. The study manufactured and characterized PCL scaffolds with various percentages of commercial cellulose (microcrystalline and methyl cellulose) or cellulose from agro-industrial residues (corncob). The results indicate that cellulose incorporation promotes cellular adhesion/proliferation, and methyl cellulose scaffolds demonstrate compressive properties closer to native cartilaginous tissue.
Article
Biochemistry & Molecular Biology
Salim Sazzed, Peter Scheible, Jing He, Willy Wriggers
Summary: In this paper, a dynamic programming-based framework, named Spaghetti Tracer, is developed to characterize the structural arrangement of filaments in subcellular components. The framework performs well under experimental noise conditions according to the tests on simulated tomograms.
Article
Pharmacology & Pharmacy
Evgenii V. Plotnikov, Maria S. Tretayakova, Diana Garibo-Ruiz, Ana G. Rodriguez-Hernandez, Alexey N. Pestryakov, Yanis Toledano-Magana, Nina Bogdanchikova
Summary: This study synthesized silver nanoparticles by irradiation treatment of silver nitrate solution with various stabilizers in a liquid medium and investigated their cytotoxic properties against cancer cells. The results showed that the silver nanoparticles had a dose-dependent cytotoxic effect on tumor cells, and the particles obtained with the combination of polyvinylpyrrolidone and collagen hydrolysate exhibited stronger cytotoxicity compared to samples stabilized with only collagen or only polyvinylpyrrolidone. The AgNPs formulation prepared with a mixture of PVP and PH showed significantly higher activity than other reported formulations.
Review
Agronomy
Mohammad Fatin Fatihur Rahman, Shurui Fan, Yan Zhang, Lei Chen
Summary: There is a significant demand for drone and UAS development in the agricultural sector, playing a crucial role in helping developing countries achieve economic prosperity. Financial investments in agriculture have been increasing, but the sector still faces significant losses. Utilizing drones for spraying pesticides and fertilizers can reduce health issues and the number of workers, enhancing agricultural productivity effectively.
Article
Environmental Sciences
Bo Li, Huijun Le, Wenbo Li, Yiding Chen, Libo Liu
Summary: This study investigates the dynamic evolution of storm-enhanced densities (SEDs) from the European sector to the North American sector during a geomagnetic storm. The observations show that the positions of SEDs shift from local noon over Europe to dusk over America and simultaneously move to lower latitudes. The peak values of SED total electron contents (TECs) are higher in the European sector and decrease with universal time. A double SED phenomenon appears in the North American sector, which is reported for the first time.
Article
Chemistry, Physical
M. Rodriguez-Mayorga, D. Keizer, K. J. H. Giesbertz, L. Visscher
Summary: This work reveals new insights into the changes in electronic structure caused by relativistic effects, showing a reduction in the average inter-electronic distance and an increase in the electron-electron repulsion energy.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Meeting Abstract
Chemistry, Multidisciplinary
Christian B. Hubschle, Sander van Smaalen
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2016)
Article
Chemistry, Multidisciplinary
Christian B. Huebschle, Sander van Smaalen
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2017)
Article
Crystallography
Christian B. Hubschle, Sander van Smaalen
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS
(2018)
Article
Chemistry, Organic
Jessica Goller, Christian B. Huebschle, Matthias Breuning
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2019)
Article
Crystallography
Christian B. Huebschle, Charlotte Ruhmlieb, Anja Burkhardt, Sander van Smaalen, Birger Dittrich
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS
(2018)
Article
Chemistry, Multidisciplinary
Jens Luebben, Claudia M. Wandtke, Christian B. Huebschle, Michael Ruf, George M. Sheldrick, Birger Dittrich
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2019)
Article
Chemistry, Physical
Ines E. Collings, Denis M. Vasiukov, Catherine A. McCammon, Leonid Dubrovinsky, Valerio Cerantola, Sylvain Petitgirard, Christian B. Huebschle, Andreas Schoenleber, Dmitry Chernyshov, Sander van Smaalen, Natalia Dubrovinskaia
JOURNAL OF PHYSICAL CHEMISTRY C
(2019)
Article
Chemistry, Inorganic & Nuclear
Ali Akbar Khandar, Zahra Mahmoudi Azar, Morteza Eskandani, Christian B. Hubschle, Sander van Smaalen, Behrouz Shaabani, Yadollah Omidi
Article
Chemistry, Multidisciplinary
Barbora Venosova, Julia Koziskova, Jozef Kozisek, Peter Herich, Karol Luspai, Vaclav Petricek, Jens Hartung, Mike Mueller, Christian B. Huebschle, Sander van Smaalen, Lukas Bucinsky
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS
(2020)
Meeting Abstract
Chemistry, Multidisciplinary
Christian B. Huebschle
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2019)
Meeting Abstract
Chemistry, Multidisciplinary
Christian Huebschle
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2019)
Article
Materials Science, Multidisciplinary
Sitaram Ramakrishnan, Andreas Schoenleber, Christian B. Huebschle, Claudio Eisele, Achim M. Schaller, Toms Rekis, Nguyen Hai An Bui, Florian Feulner, Sander van Smaalen, Biplab Bag, Srinivasan Ramakrishnan, Martin Tolkiehn, Carsten Paulmann
Meeting Abstract
Chemistry, Multidisciplinary
Christian Hubschle, Sander van Smaalen
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2018)
Meeting Abstract
Chemistry, Multidisciplinary
Michael Ruf, Jens Lubben, Christian B. Huebschle
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2018)
Article
Chemistry, Multidisciplinary
Emanuel Hupf, Marian Olaru, Ciprian I. Rat, Malte Fugel, Christian B. Huebschle, Enno Lork, Simon Grabowsky, Stefan Mebs, Jens Beckmann
CHEMISTRY-A EUROPEAN JOURNAL
(2017)
Article
Chemistry, Organic
Faiza Diaba, Gisela Trenchs
Summary: The first violet light-mediated synthesis of gamma- and delta-lactams from N-alkenyl trichloroacetamides is reported in this paper. The reactions are conducted in tetrahydrofuran or 2-methyltetrahydrofuran as the sole solvent without catalysts or additives, under non-anhydrous conditions in an air atmosphere where the solvent serves as the radical initiator.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Feroze Hussain, Sajjad Ahmed, Ashiq Hussain Padder, Qazi Naveed Ahmed
Summary: This study reports a novel and efficient one-pot synthesis method for mixed phosphorotrithioates, which does not require supplementary additives and shows broad applicability.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Hyunjin Oh, Ikyon Kim
Summary: A new 1,2,4-triazole-pyrrolo[1,2-a]pyrazine hybrid system, 6-acylpyrrolo[1,2-a][1,2,4]triazolo[5,1-c]pyrazine, was synthesized using a catalyst-free method. This method involved sequential exposure of pyrrole-2-carbonitrile-derived substrates to DMF-DMA and acyl hydrazide, resulting in the formation of acylated pyrazine and 1,2,4-triazole rings, enabling the installation of various substituents at specific positions on the core skeleton.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Ming Yan, Si-fan Wang, Yong-po Zhang, Jin-zhong Zhao, Zhuo Tang, Guang-xun Li
Summary: Here we developed an efficient photocatalytic approach for the convenient preparation of sulfinamides. The reaction allows for the gram-scale preparation of sulfinamides and the one-pot synthesis of various sulfonyl amides.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Farzaneh Bandehali-Naeini, Zahra Tanbakouchian, Noushin Farajinia-Lehi, Nicolas Mayer, Morteza Shiri, Martin Breugst
Summary: Two tandem catalytic systems were developed for the synthesis of novel 3,4-disubstituted maleimides using the same Ugi adducts. Different maleimide structures can be synthesized using either Pd or Cu catalysis.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Tanya Raghava, Anjan Chattopadhyay, Subhadeep Banerjee, Nivedita Sarkar
Summary: Amine substitution of two ortho fluorine atoms of tetrafluoroterephthalonitrile through SNAr chemistry is easily achievable. But further fluorine substitution is only possible under forcing conditions, yielding valuable fluorophores for bioimaging.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Review
Chemistry, Organic
Anju Chadha, Santosh Kumar Padhi, Selvaraj Stella, Sowmyalakshmi Venkataraman, Thangavelu Saravanan
Summary: Alcohol dehydrogenases are enzymes that use cofactors for oxidation or reduction reactions of alcohols or carbonyl compounds. They are utilized in green chemistry and have applications in the production of pharmaceuticals. Recombinant enzymes have solved the challenge of producing purified enzymes in large quantities. Engineered alcohol dehydrogenases have been used in asymmetric synthesis in industry. Various methods have been established for regenerating expensive cofactors to make the enzymatic process more efficient and economically viable.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)