Article
Engineering, Environmental
Peizeng Yang, Li Qian, Yan Cheng, Yuefei Ji, Junhe Lu, Deyang Kong
Summary: Activated persulfate oxidation in soils containing nitrite can yield nitrophenolic byproducts, positively correlated with soil organic matter content. The presence of potential risks highlights the need for cautious use of oxidative reagents in soil remediation.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Engineering, Environmental
Longgang Chu, Long Cang, Zhaoyue Sun, Xinghao Wang, Hong Chen, Guodong Fang, Juan Gao
Summary: This study systematically investigated the formation mechanism of nitro byproducts of anthracene (ANT) during the electrokinetic (EK) chemical oxidation process. The formation of nitro-byproducts, including 14 different kinds, were observed and their nitration pathways were proposed and described. These nitro-byproducts, which have enhanced acute toxicity, mutagenic effects, and potential threat to the ecosystem, should be further studied during the EK process.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Nils Kurig, Regina Palkovits
Summary: Growing awareness of the environmental impact has led to considerations of a circular economy and renewable energy in the chemical industry. This article discusses the potential of electrochemically generated hydrogen and all-electrochemical synthesis to achieve more sustainable ammonia production. It also evaluates different strategies for electrochemical C-N functionalization, particularly electrophilic nitration, and highlights the possibility of using ammonia and atmospheric nitrogen for electrochemical nitration. The importance of alternative nitrogen sources in fine chemical production is emphasized.
Article
Chemistry, Multidisciplinary
Nils Kurig, Regina Palkovits
Summary: The growing awareness of the environmental impact caused by the chemical industry has led to considerations of a circular economy and the use of renewable electricity. This article reviews different strategies for electrochemical C-N functionalization using ammonia and atmospheric nitrogen as alternative nitrogen sources, aiming to achieve a more sustainable production. The potential of these strategies is evaluated, particularly for decentralized small-scale productions to bypass the Haber Bosch process.
Article
Engineering, Environmental
Pin Wang, Lingjun Bu, Lu Luo, Yangtao Wu, Weiqiu Zhang, Shiqing Zhou, John C. Crittenden
Summary: In this study, a novel kinetic model was developed to enrich the elementary reactions related to transformation products (TPs) in advanced oxidation processes (AOPs). The entire reaction pathways from parent organic compounds to TPs were mapped using density functional theory (DFT). The predicted concentrations of nitro-TPs obtained from the model matched previous research results, confirming the accuracy of the predictions. This research highlights the effectiveness of combining DFT and kinetic modeling in understanding TP formation and decay mechanisms in AOPs.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Yujie Wang, Siwei Zhao, Xu Liu, Wenqing Zhen, Gang Fu, Li Yang, Shaozeng Sun, Jiaxu Zhang
Summary: Proton transfer between HOCO+ and CO primarily results in the formation of the formyl cation HCO+ through a direct stripping mechanism. Simulation experiments reveal the dynamics of this reaction process.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Applied
Ban Wang, Gavin E. Mccabe, Mitchell J. Parrish, Jujhar Singh, Matthias Zeller, Yongming Deng
Summary: A photoinduced selective hydroamination reaction of ynamides with nitrogen heteroaromatic nucleophiles has been developed using an organocatalytic photoredox system. This method allows for the direct construction of a diverse range of (Z)-alpha-azole enamides from ynamides and pyrazoles, triazoles, benzotriazoles, indazoles, and tetrazoles, providing a photocatalytic synthetic route to heterocyclic motifs commonly found in medicinal agents.
ADVANCED SYNTHESIS & CATALYSIS
(2022)
Article
Environmental Sciences
Xianwei Zhao, Zhuochao Teng, Junjie Wang, Xiaohui Ma, Yanhui Sun, Rui Gao, Fei Xu, Qingzhu Zhang, Wenxing Wang
Summary: This study reveals that nitric acid is formed from chlorine radical, nitrogen dioxide, and water molecules in the marine boundary layer, with the formation from a monohydrate system being thermodynamically favorable.
ATMOSPHERIC ENVIRONMENT
(2022)
Article
Forestry
Shirong Sun, Tomoya Yokoyama
Summary: In this study, monomeric C-6-C-2 type lignin model compounds were individually oxidized by MnO2 to examine the effect of beta-methyl group presence on the oxidation. The results showed that the presence of the beta-methyl group decelerated the oxidation process, regardless of the type of aromatic nucleus, and the kinetic isotope effects were smaller compared to the corresponding C-6-C-1 type compounds. Only the S-type compounds produced products via degradation of the aromatic nuclei.
JOURNAL OF WOOD SCIENCE
(2021)
Review
Biochemistry & Molecular Biology
Chryssostomos Chatgilialoglu
Summary: This article discusses the formation of the guanyl radical from guanine structures, as well as its two tautomeric forms and their relationship and reactivity. The complex mechanisms of one-electron oxidation of the GC pair and the deprotonation vs. hydration step of the GC(center dot+) pair are particularly emphasized. The importance of the guanine DNA damage biomarkers and the role of guanine radicals in various oligonucleotide structures are also highlighted.
Article
Chemistry, Physical
Jun-Ying Feng, Yuan-Pern Lee, Henryk A. Witek, Takayuki Ebata
Summary: The structures and reactions of pyridine cluster cations generated at specific ionization energy were investigated using infrared action spectroscopy. Proton and deuteron migration during formation and dissociation of the cluster cations were observed, with reactions involving alpha-distonic cation intermediates and proton migration pathways, respectively. Infrared spectra indicated that the clusters consist of a core covalently bound with additional pyridines via hydrogen bonds and/or weak dispersive interactions.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Engineering, Chemical
Yayang Tian, Xike Tian, Wenbin Zeng, Yulun Nie, Chao Yang, Chu Dai, Yong Li, Liqiang Lu
Summary: The introduction of selenium into graphitic carbon nitride (g-C3N4) can enhance its performance in activating peroxymonosulfate (PMS), leading to more efficient degradation of organic pollution caused by antibiotics. The Se-doped g-C3N4 (Se-g-C3N4) showed a significant increase in degradation rate compared to bulk g-C3N4, attributed to the enhanced PMS decomposition and electron transfer process. This work provides a new strategy for improving the PMS activation performance of g-C3N4 by regulating electron distribution and increasing exposure of reactive sites.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Weikang Deng, Yang Liu, Daiki Shimizu, Takayuki Tanaka, Akito Nakai, Yutao Rao, Ling Xu, Mingbo Zhou, Atsuhiro Osuka, Jianxin Song
Summary: meso-Trimesityl-substituted [20]smaragdyrin freebase was synthesized by an improved yield of 63% through the p-toluenesulfonic acid catalyzed reaction. Treatment of the [20]smaragdyrin freebase with BF3 center dot OEt2 and triethylamine (TEA) resulted in the formation of a stable radical species. This work demonstrates the ability of smaragdyrin BF2 complexes to exist in multiple redox states, particularly forming a stable neutral radical by facile release of a hydrogen atom.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Engineering, Environmental
Peizeng Yang, Yuefei Ji, Junhe Lu
Summary: Sulfate radical (SO4 center dot-) based oxidation has great potential in wastewater treatment by transforming ammonium (NH4+) into nitrophenolic byproducts. The reaction mechanism leading to the formation of nitrophenolic byproducts, as well as the transformation of aromatic carboxylate moieties to phenolics by SO4 center dot-, has been demonstrated in the study. The widespread formation of nitrophenolic byproducts when using SO4 center dot- for onsite remediation highlights the importance of considering this factor in evaluating the feasibility of the technology.
Article
Agriculture, Multidisciplinary
Rui Peng, Li Wang, Pinting Yu, Andrew J. Carrier, Ken D. Oakes, Xu Zhang
Summary: This study reveals the mechanism through which nitrite affects Fenton reactions in meat products by increasing the availability of Fe3+, facilitating its reduction and stabilizing Fe2+, and accelerating Fe3+/Fe2+ cycling, leading to exacerbated oxidative and nitrosative stress on proteins.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Neha Agnihotri, Ronald P. Steer
JOURNAL OF PORPHYRINS AND PHTHALOCYANINES
(2015)
Article
Chemistry, Physical
Neha Agnihotri
CHEMICAL PHYSICS LETTERS
(2016)
Article
Chemistry, Physical
Neha Agnihotri, Ronald P. Steer
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2016)
Article
Chemistry, Physical
Neha Agnihotri, P. C. Mishra
CHEMICAL PHYSICS LETTERS
(2011)
Article
Biochemistry & Molecular Biology
Neha Agnihotri, P. C. Mishra
JOURNAL OF MOLECULAR MODELING
(2011)
Review
Chemistry, Physical
Neha Agnihotri
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS
(2014)
Article
Chemistry, Physical
Neha Agnihotri, P. C. Mishra
JOURNAL OF PHYSICAL CHEMISTRY A
(2011)
Article
Chemistry, Physical
Neha Agnihotri, P. C. Mishra
JOURNAL OF PHYSICAL CHEMISTRY B
(2009)
Article
Chemistry, Physical
Neha Agnihotri, P. C. Mishra
JOURNAL OF PHYSICAL CHEMISTRY B
(2010)
Article
Chemistry, Physical
Saumya Tiwari, Neha Agnihotri, P. C. Mishra
JOURNAL OF PHYSICAL CHEMISTRY B
(2011)
Article
Chemistry, Multidisciplinary
Neha Agnihotri, Ronald P. Steer
JOURNAL OF PORPHYRINS AND PHTHALOCYANINES
(2014)
Article
Chemistry, Multidisciplinary
Neha Agnihotri
CANADIAN JOURNAL OF CHEMISTRY
(2019)
Article
Chemistry, Multidisciplinary
Vinita, Madhu Tiwari, Neha Agnihotri, Monika Singh, Akhilesh Kumar Singh, Rajiv Prakash