Article
Chemistry, Physical
Gozde Inis Demir, Riccarda Caputo, Samet Demir, Adem Tekin
Summary: This study investigated the polymorphism, lattice stability, and decomposition mechanism of LiMg(BH4)(3)(NH3)(2) through simulations and calculations, finding the onset of H-2(g) production at 400 K. In addition to hexagonal structures, monoclinic and orthorhombic structures were proposed as stable alternatives.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Biochemistry & Molecular Biology
Lucas van Duin, Robert Krautz, Sarah Rennie, Robin Andersson
Summary: This study investigates the regulatory determinants of gene co-activity in genomic domains using individual variation in gene expression. The researchers identify co-regulatory processes underlying co-activity and quantify their effect sizes. They find that transcription factor expression levels are the main determinant of gene co-activity, with distal trans effects contributing more than local genetic variation.
MOLECULAR SYSTEMS BIOLOGY
(2023)
Article
Green & Sustainable Science & Technology
Mengxiang Fang, Wenfeng Dong, Yi Zhang, Rui Zhao, Yan Li, Shijian Lu, Tao Wang, Qinhui Wang
Summary: This paper introduces the process modification and heat transfer exchanger with higher heat transfer coefficient in a 150 kt/y chemical absorption CCS demonstration project, aiming to reduce system investment and energy consumption.
INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
(2021)
Article
Chemistry, Applied
Kongcheng Huang, Jianwu Lu, Xiaoxu Wang, Yinfei Shi, Kaimike Yang, Shun Yuan, Yinquan Wang, Han Sun, Yuebin Liu, Xun Sun, Taizhi Wu
Summary: The article presents a process research study on a crucial intermediate in the synthesis of baloxavir marboxil. The study focuses on addressing limitations of the original synthesis sequence and optimizing the process to achieve higher product purity and yield.
ORGANIC PROCESS RESEARCH & DEVELOPMENT
(2023)
Article
Chemistry, Multidisciplinary
Rodrigo Baez-Grez, Osvaldo Yanez, Ricardo Pino-Rios
Summary: The electronic transmutation concept suggests that when an element gains an electron, it transmutes into an element with a higher atomic number. This study examines the opposite concept, the inverse electronic transmutation, by analyzing main group compounds. The results show that when an atom loses an electron, it transmutes into an atom with a lower atomic number, adopting its geometrical structure and bonding pattern.
Article
Thermodynamics
Gong Yue, Su Hong, Shang-Hao Liu
Summary: With the continuous development of battery technology, ionic liquids (IL) have gained attention as excellent electrolytes. This study focuses on the safety characteristics of a common ionic liquid at high temperatures. The results show that the ionic liquid exhibits short reaction time and hazard temperature at elevated temperatures.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2023)
Article
Chemistry, Multidisciplinary
Indroneil Roy, Chenying Wang, Nicholas Smieszek, Xinran Li, Leonidas Tsapatsaris, Vidhya Chakrapani
Summary: This research focuses on the catalytic efficiency of birnessite in the water oxidation reaction, investigating the formation mechanism of the key Mn-III intermediate influenced by various electrolyte components. The study reveals that electrolyte cations control the interlayer spacing, while electrolyte anions regulate the deprotonation level, both ultimately affecting the shuttling efficiency of uncomplexed Mn-II and its oxidation to Mn-III.
Article
Mathematics
Jori Merikoski
Summary: This paper proves the existence of infinitely many prime numbers of the form X^2+(Y^2+1)^2 and X^2+(Y^3+Z^3)^2. This extends the work of Friedlander and Iwaniec, who showed the existence of infinitely many prime numbers of the form X^2+Y^4 and obtained an asymptotic formula for them.
PROCEEDINGS OF THE LONDON MATHEMATICAL SOCIETY
(2023)
Article
Chemistry, Organic
Luis R. Domingo, Mar Rios-Gutierrez, Patricia Perez
Summary: In this study, the [3 + 2] cycloaddition reactions of phenyl azide with different electronically activated ethylenes were investigated. The reactivity of phenyl azide as both an electrophile and a nucleophile was characterized. The reactions were classified into four groups based on the relative reaction rate constants and electrophilicity and nucleophilicity indices of the ethylenes. The results contradict the existing parabolic correlation model.
ORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Applied
Zhoushun Zhang, Songsong Li, Lei Chen, Zichao Guo
Summary: The study found that the thermal stability of qualified dry ABTA was better than that of the original wet ABTA. As water was removed from ABTA, its thermal stability improved, and the decomposition behavior of the qualified dry ABTA followed an N-order reaction.
ORGANIC PROCESS RESEARCH & DEVELOPMENT
(2021)
Article
Chemistry, Applied
Junjie Li, Wei Feng, Shichun Weng, Zichao Guo, Wanghua Chen
Summary: This paper characterized the synthesis process of 3,4-bis(4-Aminofurazano-3-yl) furoxan (DATF) and studied the effects of reaction parameters. It was found that extracting the intermediate 3-amino-4-oxycyanofurazan from the aqueous to organic phases improved the yield of DATF. The thermal risk analysis showed that the synthesis of DATF had low thermal risk.
ORGANIC PROCESS RESEARCH & DEVELOPMENT
(2023)
Article
Agricultural Engineering
Wei Guo, Caihong Huang, Beidou Xi, Zhurui Tang, Wenbing Tan, Wenxuan Li, Ying Zhang, Wei Li
Summary: The study found that the abundance of ARGs during swine manure composting is mainly influenced by potential host bacteria, and composting can reduce the abundance of potential host bacteria and pathogens, reducing environmental risks. Furthermore, prolonging the maturity period can inhibit the growth of potential host bacteria of ARGs, effectively inhibiting the transmission of ARGs.
BIORESOURCE TECHNOLOGY
(2021)
Article
Microbiology
Dongwei Li, Husen Qiu, Guangli Tian, Yulong Zhao, Xinguo Zhou, Shuai He
Summary: This study examined the effects of the length of time that drip irrigation (DI) lasts on soil bacterial diversity and community assembly process. The results showed that long-term DI reduced soil salinity and increased soil bacterial diversity, while also affecting the bacterial community structure. Soil salinity was found to be the primary factor influencing the bacterial community assembly process.
FRONTIERS IN MICROBIOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Yucheng Liu, Kaibo Hu, Xiaowen Zhou, Chuanqi Zhang, Fang Gao, Xuewei Li, Yinhua Wan
Summary: A green process for transforming YF3 to Y(OH)3 at room temperature was achieved through a mechanochemical method. The process is environmentally friendly, with zero emission and less acid/alkali consumption. It was found that mechanical force can promote the complete transformation of YF3 to Y(OH)3, resulting in a transformation efficiency of 98.2%. The process of extracting Y from YSS further showed successful transformation and a leaching rate of Y reaching 96.2%, indicating its potential for recovering REEs from waste slag or minerals containing rare earth fluoride.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Environmental Sciences
Yanyu Sun, Weiwei Chen, Yibo Wang, Jie Guo, Haikun Zhang, Xiaoke Hu
Summary: The study introduced the enhanced green fluorescent protein gene to validate the survival and degradation ability of crude oil-degrading strains in bioremediation. It was found that rapid depletion of nutrients led to the inability of the degrader to maintain high abundance. This study provides important insights for developing more rational bioremediation strategies.
JOURNAL OF ENVIRONMENTAL SCIENCES
(2021)
Article
Chemistry, Applied
Filippo Buttignol, Alberto Garbujo, Pierdomenico Biasi, Daniel Rentsch, Oliver Kroecher, Davide Ferri
Summary: This study investigates the effect of an alumina-based binder on the structure of a commercial Fe-ZSM-5 catalyst. The results show that the binder improves the catalyst's dispersion of Fe species, framework Al content, and acidity, while reducing Fe agglomeration and framework Al migration.
Article
Metallurgy & Metallurgical Engineering
Dong-Jun Choi, Tae-Yeong Kim, Hyun-Uk Hong, Joonoh Moon, Chang-Hoon Lee, Dong-Ik Kim, Jae-Hyeok Shim, Heung Nam Han, Young-Su Lee
Summary: The effects of Ti on the yield strength of low-Mo fire-resistant steels at high temperatures are investigated. Nanoscale TiC precipitates are found to be the major factor for the enhanced strength at room temperature. The amount of TiC precipitates and both the yield and tensile strengths increase with the Ti content. However, the steel with the highest Ti content shows a significantly reduced yield strength ratio at 600 degrees C.
STEEL RESEARCH INTERNATIONAL
(2023)
Article
Materials Science, Multidisciplinary
Jeong Min Kim, Taejun Ha, Joonho Lee, Young-Su Lee, Jae-Hyeok Shim
Summary: This study predicts the PCT curves for hydrogen absorption and desorption of AB(2)-type hydrogen storage alloys at arbitrary temperatures using three machine learning models. By improving the PCT curve function and generating unmeasured temperature data, the prediction accuracy is greatly improved, with the DNN model performing the best.
METALS AND MATERIALS INTERNATIONAL
(2023)
Article
Chemistry, Physical
Hayoung Kim, ShinYoung Kang, Ji Yeong Lee, Tae Wook Heo, Brandon C. Wood, Jae-Hyeok Shim, Young Whan Cho, Do Hyang Kim, Jin-Yoo Suh, Young -Su Lee
Summary: This study evaluates the effect of alloying elements on the initial hydrogenation kinetics of TiFe alloys through analyzing the changes in TiFe0.9M0.1 (M = V, Cr, Fe, Co, and Ni) alloys. The results reveal suppressed oxide growth and reduced nucleation barrier in alloyed TiFe, leading to improved activation kinetics. These findings provide a starting point for alloy design strategies towards further improvement.
APPLIED SURFACE SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Yuanye Huang, Radovan Cerny, Corsin Battaglia, Arndt Remhof
Summary: Hydroborates are investigated as solid electrolytes for all-solid-state batteries, and the impact of pressure on their crystal structure and ionic conductivity is studied. Different ratios of Na2B10H10 and Na2B12H12 result in different crystal phases. Applying pressure to densify the powder leads to a partial phase transformation into a body-centered cubic (BCC) phase. The sodium-ion conductivity increases with increasing BCC content for both ratios.
JOURNAL OF MATERIALS SCIENCE
(2023)
Article
Chemistry, Physical
Paul Till, Ryo Asakura, Arndt Remhof, Wolfgang G. Zeier
Summary: In this study, the structural characterization of several different Na+ closo-hydroborates was investigated using Bragg diffraction and pair distribution function analysis. The results showed a low correlation of atom motions between hydroborate cages, providing important insights into the understanding of hydroborates and other plastic crystals.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Pritam Das, Krishnamohan Thekkepat, Young-Su Lee, Seung-Cheol Lee, Satadeep Bhattacharjee
Summary: Finding a suitable material for hydrogen storage under ambient atmospheric conditions is challenging. In this study, the hydrogen storage capacity of Ti(2)AC MAX phase and its alloys were investigated using a first principles based cluster expansion approach. It was found that hydrogen adsorption is energetically more favorable on the tetrahedral site in the Ti-A layer. Ti2CuC has the highest hydrogen adsorption energy and a Cu-doped Ti2AlxCu1-xC alloy structure can store 3.66 wt% hydrogen under ambient atmospheric conditions, surpassing Ti2AlC and Ti2CuC phases.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Yong-Jin Jang, Hyungeun Seo, Young-Su Lee, Sora Kang, Woosuk Cho, Young Whan Cho, Jae-Hun Kim
Summary: This study prepared solid electrolytes containing BH4- anions via a simple and fast method, showcasing high ionic conductivity. By investigating the local structure of lithium thiophosphate, it was found that the ionic conductivity can be influenced by changing the amount of LiBH4 and milling conditions.
Article
Construction & Building Technology
Ellina Bernard, Barbara Lothenbach, Alexander German, Daniel Rentsch, Frank Winnefeld
Summary: The effect of alumina and carbonates on magnesium silicate hydrate (M-S-H) cements was studied under high Mg/Si ratios, constant Na2CO3 concentration, and varying Al/Si ratios. The results showed the formation of M-(A-)S-H phases and hydrotalcite in the presence of aluminum, but little reaction with hydromagnesite. Thermodynamic modeling, considering the reactivity of the starting materials, demonstrated relatively good agreement with the observed phase assemblage.
CEMENT & CONCRETE COMPOSITES
(2023)
Article
Engineering, Environmental
Wenyu Wu Klingler, Valentin Rougier, Zhenyu Huang, Dambarudhar Parida, Sandro Lehner, Andri Casutt, Daniel Rentsch, Karin Brandli Hedlund, Gion Andrea Barandun, Veronique Michaud, Sabyasachi Gaan
Summary: The development of reusable fire-safe polymers with a prolonged lifetime is important for transitioning towards a circular economy. A novel phosphonated thermoset was synthesized using a two-step methodology, showing good flame retardancy and reprocessability at phosphorus concentrations above 5%. This thermoset exhibited high Tg, good thermal stability, and demonstrated its potential for application as a polymer matrix in composite materials.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Plant Sciences
Yuting Huang, Qianru Chen, Weijie Pan, Ying Zhang, Jiasheng Li, Xingyang Xue, Xinhe Lei, Shumei Wang, Jiang Meng
Summary: This study demonstrates that raw Moutan Cortex exerts blood-activating and anti-inflammatory effects by regulating the target genes of the coagulation-inflammation cascade pathway.
JOURNAL OF ETHNOPHARMACOLOGY
(2024)
Article
Chemistry, Physical
Andrea Garcia, Gian Mueller, Radovan Cerny, Daniel Rentsch, Ryo Asakura, Corsin Battaglia, Arndt Remhof
Summary: This study demonstrates the feasibility of using hydridoborates as solid electrolytes for solid-state lithium batteries. By cation exchange and ball milling, Li2B10H10 and Li2B12H12 can be prepared with high yields, and the mixed-phase Li4B10H10B12H12 shows significantly improved ionic conductivity compared to the individual phases. The solid electrolyte exhibits good oxidative and thermal stability, and the proof-of-concept solid-state batteries using it as the electrolyte show promising performance.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Electrochemistry
Lasse N. Skov, Jakob B. Grinderslev, Asger Rosenkranz, Young-Su Lee, Torben R. Jensen
Summary: Solid-state inorganic magnesium batteries are considered as potential high energy storage devices of the future. In this study, magnesium borohydride tetrahydrofuran (THF) composites were used as solid-state electrolytes for magnesium batteries, and several compounds with high ionic conductivity were identified. A proof-of-concept rechargeable solid-state magnesium battery was assembled, showing stability and high discharge capacity.
BATTERIES & SUPERCAPS
(2022)
Review
Energy & Fuels
Erika Michela Dematteis, Mads B. Amdisen, Tom Autrey, Jussara Barale, Mark E. Bowden, Craig E. Buckley, Young Whan Cho, Stefano Deledda, Martin Dornheim, Petra de Jongh, Jakob B. Grinderslev, Goekhan Gizer, Valerio Gulino, Bjorn C. Hauback, Michael Heere, Tae Wook Heo, Terry D. Humphries, Torben R. Jensen, Shin Young Kang, Young-Su Lee, Hai-Wen Li, Sichi Li, Kasper T. Moller, Peter Ngene, Shin-ichi Orimo, Mark Paskevicius, Marek Polanski, Shigeyuki Takagi, Liwen Wan, Brandon C. Wood, Michael Hirscher, Marcello Baricco
Summary: This review paper provides an overview of the intense literature and research efforts on complex hydrides for energy storage applications. It focuses on recent advances in different complex hydride systems from the collaborative activities of research groups led by experts of the Task 40 'Energy Storage and Conversion Based on Hydrogen' of the International Energy Agency. The paper reviews materials design, synthesis, tailoring, modelling approaches, hydrogen release and uptake mechanisms, and thermodynamic aspects to define new trends and suggest new possible applications for these highly tuneable materials.
PROGRESS IN ENERGY
(2022)
Review
Chemistry, Multidisciplinary
Dan He, Yawen Li, Fuwen Zhao, Yuze Lin
Summary: High trap density in organic solar cells leads to localized charge carriers and reduced carrier lifetime, limiting device efficiency. This feature article summarizes the recent advances of trap suppression by material design and device engineering.
CHEMICAL COMMUNICATIONS
(2024)
Review
Chemistry, Multidisciplinary
Olivier Monfort, Arshitha Madhusudhan, Martin Motola
Summary: This article presents the advantages of coupling photocatalysis and Fenton-based processes for environmental remediation and discusses their synergy. It critically examines the simultaneous triggering of these two processes and provides insights into research approaches. The study aims to enhance understanding of this complex process and highlight the potential integration of new catalysts in current wastewater treatment technology.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Manideepa Dhar, Chittaranjan Mishra, Avijit Das, Uttam Manna
Summary: An approach of 'polymerization of monomers in its aggregated form' has been introduced to tailor the water wettability of fibrous and porous substrates, achieving hydrophobicity to superhydrophobicity transition, as well as patterned wettability. This facile chemical method provides a durable coating with adjustable and patterned wettability for various potential applications.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Saswat Ranjan Bhoi, Chhanda Debnath, Shikha Gandhi
Summary: In this article, a novel catalytic reaction using Pd(0) and Bronsted acid is reported for the synthesis of biologically important imidazolidinone-fused N-heterocycles through redox-neutral intramolecular N-allylation of indoles and pyrroles with alkynes. This atom-economical method is applicable to a wide range of substrates and eliminates the need for leaving groups or oxidizing agents commonly used in traditional allylation reactions.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Longkun Chen, Mingshuai Zhang, Meichen Liu, Zhuoyuan Liu, Yuetong Qiu, Zhilai Zhang, Fuchao Yu, Jiuzhong Huang
Summary: In this study, an efficient Rh(III)-catalyzed selective mono- and dual-C-H bond functionalization/cyclization with iodonium ylide as the sole coupling partner was demonstrated. Fused benzodiazepine skeletons were obtained in excellent yields, providing an improved approach to dual C-H unsymmetrical functionalization.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Alice Kennett, Sven Epple, Gabriella van der Valk, Irene Georgiou, Evelyne Gout, Romain R. Vives, Angela J. Russell
Summary: This study presents the design and synthesis of sulfated disaccharide inhibitors based on IdoA(2S)-GlcNS(6S), which showed potent inhibition of Sulf-2. The results suggest that IdoA(2S)-GlcNS(6S) is the shortest fragment size required for effective inhibition of Sulfs, and a trisulfated disaccharide is identified as the minimal fragment size of heparan sulfate for effective endosulfatase inhibition.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Mauro Garbini, Andrea Brunetti, Riccardo Pedrazzani, Magda Monari, Massimo Marcaccio, Giulio Bertuzzi, Marco Bandini
Summary: The self-adaptability of galvanostatic electrolysis was found to be helpful in a multistage chemo- and diastereoselective electrochemically promoted cyclodimerization of chalcones. Through a series of reductive events, densely functionalized cyclopentanes with five contiguous stereocenters were obtained (25 examples, yields up to 95%, dr values up to >20:1). Further experimental and electrochemical investigations indicated the crucial role of dynamic kinetic resolution of the aldol intermediate in the reaction mechanism.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Dhananjay S. Nipate, Neha Meena, Prakash N. Swami, Krishnan Rangan, Anil Kumar
Summary: In this study, the synthesis of functionalized benzo[a]phenazines and indazolo[2,3-a]quinolines was achieved through Rh(III)-catalyzed oxidative annulation of 2-arylquinoxalines and 2-aryl-2H-indazoles with allyl alcohols. The method showed a wide substrate scope, excellent functional group tolerance, good to high yields of annulated products, and the capability for scaled-up synthesis. A tentative mechanism of the annulation reaction was proposed based on a preliminary mechanistic investigation.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Ruonan Zhang, Abudukadi Tudi, Xia Yang, Xuping Wang, Zhihua Yang, Shujuan Han, Shilie Pan
Summary: A new lead tellurium borate material with a unique fundamental building block [B4O10] was synthesized and found to exhibit high birefringence. The structure-property relationship was discussed using first-principles calculations.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Amresh Kumar Singh, Baishali Thakurta, Anupam Giri, Monalisa Pal
Summary: This study introduces three key concepts for the quick synthesis of large-scale high-quality 2D materials films and their utilization in device fabrication.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Reina Hagiwara, Shun Nishimura, Kosuke Okeyoshi
Summary: A copolymer-conjugated nanocatalytic system has been developed to improve electron transfer and enhance photoinduced H2 generation.
CHEMICAL COMMUNICATIONS
(2024)
