Psychoactive Plant Database - Neuroactive Phytochemical Collection

1. Sci Total Environ. 2024 Nov 4:177341. doi: 10.1016/j.scitotenv.2024.177341. 
Online ahead of print.

Comparative evaluation and QSAR modeling of developmental neurotoxicity of novel 
brominated flame retardants in zebrafish.

Li F(1), Lei L(2), Zhou Y(2), Wang X(3), Zhang Y(1), Hua J(4), Han J(5), Yang 
L(2), Zhou B(2).

Author information:
(1)Key Laboratory of Breeding Biotechnology and Sustainable Aquaculture, 
Institute of Hydrobiology, Chinese Academy of Sciences, Wuhan 430072, China; 
University of Chinese Academy of Sciences, Beijing 100049, China.
(2)Key Laboratory of Breeding Biotechnology and Sustainable Aquaculture, 
Institute of Hydrobiology, Chinese Academy of Sciences, Wuhan 430072, China.
(3)Ecology and Environment Monitoring and Scientific Research Center, Ecology 
and Environment Administration of Yangtze River Basin, Ministry of Ecology and 
Environment, 430010 Wuhan, China.
(4)Key Laboratory of Breeding Biotechnology and Sustainable Aquaculture, 
Institute of Hydrobiology, Chinese Academy of Sciences, Wuhan 430072, China; 
School of Basic Medical Sciences, Hubei University of Chinese Medicine, Wuhan 
430065, China. Electronic address: huajianghuan@163.com.
(5)Key Laboratory of Breeding Biotechnology and Sustainable Aquaculture, 
Institute of Hydrobiology, Chinese Academy of Sciences, Wuhan 430072, China. 
Electronic address: hanjian@ihb.ac.cn.

The novel brominated flame retardants (NBFRs) have received wide concerns due to 
their ubiquitous occurrence in the environment and their potential risks to 
ecosystems and human health. However, the toxicity data of NBFRs are still 
lacking, especially their toxicity comparison data, and toxicity predictions for 
untested NBFRs are extremely limited. In this study, eight commonly used NBFRs 
and decabromodiphenyl ether (BDE209) were selected to compare their toxicity at 
concentrations between 0.03 and 3.69 μM, by exposing zebrafish embryos until 
120 h post-fertilization (hpf) and evaluating 18 toxicity indicators including 
basic development indicators and a series of behavioral indicators. The toxicity 
potency of the tested compounds ranked by the total number of significantly 
affected endpoints were pentabromobenzene (PBB) ≈ 2,4,6-tribromophenol 
(TBP) > BDE209 ≈ bis(2-ethylhexyl) tetrabromophthalate 
(TBPH) > pentabromotoluene (PBT) ≈ 2-ethylhexyl-2,3,4,5-tetrabromobenzoate 
(EHTBB) > 1,2-bis(2,4,6-tribromophenoxy)ethane (BTBPE) > hexabromobenzene 
(HBB) > decabromodiphenyl ethane (DBDPE). Almost all the tested compounds 
affected the locomotor behavior of zebrafish larvae, suggesting that the refined 
behavioral indicators were sensitive endpoints. Furthermore, the quantitative 
structure-activity relationship (QSAR) model we developed suggested that 
molecular surface area (MSA) might be the critical factor for determining the 
developmental neurotoxicity of NBFRs to zebrafish larvae, except for congeners 
with larger molecules (e.g. DBDPE, BTBPE). These findings would contribute to 
elucidating the toxicity differences among various NBFRs and provide important 
references for their toxicity prediction.

Copyright © 2024 Elsevier B.V. All rights reserved.

DOI: 10.1016/j.scitotenv.2024.177341
PMID: 39505034


2. Angew Chem Int Ed Engl. 2024 Nov 3:e202415853. doi: 10.1002/anie.202415853. 
Online ahead of print.

Modulating Interfacial Solvation via Ion Dipole Interactions for Low-Temperature 
and High-Voltage Lithium Batteries.

Cheng F(1), Liang P(2), Li J(2), Dong Y(2), Wang Z(2), Ding G(2), Liu K(2), Xue 
L(2).

Author information:
(1)Nankai University, College of Chemistry, #94Weijin Road, 300071, Tianjin, 
CHINA.
(2)Nankai University, College of Chemistry, CHINA.

Extending the stability of ether solvents is pivotal for developing 
low-temperature and high-voltage lithium batteries. Herein, we elucidate the 
oxidation behavior of tetrahydrofuran with ternary BF4-, PF6- and 
difluoro(oxalato)borate anions and the evolution of interfacial solvation 
environment. Combined in-situ analyses and computations illustrate that the ion 
dipole interactions and the subsequent formation of ether-Li+-anion complexes in 
electrolyte rearrange the oxidation order of solvated species, which enhances 
the electrochemical stability of ether solvent. Furthermore, preferential 
absorption of anions on the surface of high-voltage cathode favors the formation 
of a solvent-deficient electric double layer and an anti-oxidation cathode 
electrolyte interphase, inhibiting the decomposition of tetrahydrofuran. 
Remarkably, the formulated electrolyte based on ternary anion and 
tetrahydrofuran solvent endows the LiNi0.8Co0.1Mn0.1O2 cathode with considerable 
rate capability of 5.0 C and high capacity retention of 93.12% after 200 cycles. 
At a charging voltage of 4.5 V, the Li||LiNi0.8Co0.1Mn0.1O2 cells deliver 
Coulombic efficiency above 99% at both 25 and -30 °C.

© 2024 Wiley‐VCH GmbH.

DOI: 10.1002/anie.202415853
PMID: 39491040


3. J Anim Physiol Anim Nutr (Berl). 2024 Oct 30. doi: 10.1111/jpn.14065. Online 
ahead of print.

Estimation of Metabolizable Amino Acids and Energy Requirements and Development 
of Mathematical Models to Predict Average Daily Gain for Beef Cattle.

Wang J(1), Shen C(1), Zhao G(1), Li MM(1).

Author information:
(1)State Key Laboratory of Animal Nutrition, College of Animal Science and 
Technology, China Agricultural University, Beijing, People's Republic of China.

This study aimed to estimate metabolizable energy (ME), protein (MP) and amino 
acids (MAA) requirements for maintenance and growth, and to develop a 
mathematical model to predict ADG for beef cattle using a meta-regression 
approach. A data set including 91 sources of literature with 385 treatments was 
assembled after data collection and screening. To estimate nutrient requirements 
for maintenance and growth, metabolizable nutrient intakes were regressed on 
metabolic body weight (MBW) and ADG using a mixed model with a random study 
effect. A multiple linear regression model was derived to predict ADG using MBW 
and nutrient intakes as independent variables. The random forest analysis was 
used to identify the importance of independent variables associated with ADG and 
compare it with the multiple linear regression model. The accuracy of the model 
was evaluated by Monte-Carlo cross-evaluation. The ME and MP requirements for 
maintenance were 0.56 MJ/BW0.75 and 4.31 g/BW0.75. The maintenance requirements 
of metabolizable arginine (Arg), histidine (His), isoleucine (Ile), leucine 
(Leu), lysine (Lys), methionine (Met), threonine (Thr), tryptophan (Trp), 
phenylalanine (Phe), valine (Val) and total AA were 0.044, 0.073, 0.013, 0.13, 
0.10, 0.024, 0.075, 0.026, 0.088, 0.11 and 0.76 g/BW0.75. The estimated ME and 
MP requirements for growth were 45.8 MJ/kg ADG and 398.7 g/kg ADG. The growth 
requirements of metabolizable Arg, His, Ile, Leu, Lys, Met, Thr, Trp, Phe, Val 
and total AA were 4.5, 6.4, 7.3, 24.0, 2.9, 2.4, 6.1, 1.7, 9.5, 9.3 and 
74.5 g/kg ADG. The multiple linear regression analysis showed that ADG was 
positively correlated with intakes of ME, ether extract, starch and Trp 
(p < 0.05). The results of the Monte-Carlo cross-evaluation showed that the 
multiple regression model was more accurate in predicting ADG than the random 
forest model. ME and MP requirements for maintenance are consistent with 
previous studies, but requirements for growth tend to be overestimated. Future 
studies are needed to evaluate MAA requirements. An accurate model was developed 
to predict ADG, offering a theoretical basis and guidance to improve growth 
performance and feed conversion efficiency for beef cattle.

© 2024 Wiley‐VCH GmbH. Published by John Wiley & Sons Ltd.

DOI: 10.1111/jpn.14065
PMID: 39474940


4. J Environ Manage. 2024 Oct 27;370:123051. doi: 10.1016/j.jenvman.2024.123051. 
Online ahead of print.

Emission characteristics and process distributions of multiple brominated 
persistent organic pollutants during co-disposal of 
hexabromocyclododecane-containing waste in a municipal solid waste incinerator.

Xie W(1), Lin B(2), Peng Y(3), Chen B(1), Wang Y(1), Ying Y(1), Lu S(1), Chen 
T(1).

Author information:
(1)State Key Laboratory of Clean Energy Utilization, Institute of Thermal Power 
Engineering of Zhejiang University, Hangzhou, 310027, China.
(2)School of Environment, Hangzhou Institute for Advanced Study, University of 
Chinese Academy of Sciences, Hangzhou, 310024, China. Electronic address: 
lbc@ucas.ac.cn.
(3)State Key Laboratory of Clean Energy Utilization, Institute of Thermal Power 
Engineering of Zhejiang University, Hangzhou, 310027, China. Electronic address: 
pengyaqi@zju.edu.cn.

Co-disposal of hexabromocyclododecane (HBCD)-containing waste during municipal 
solid waste incineration (MSWI) was conducted, achieving a destruction 
efficiency exceeding 99.999%. Simultaneous determination of HBCD, polybrominated 
diphenyl ethers (PBDEs) and polybrominated dibenzo-p-dioxins and dibenzofurans 
(PBDD/Fs) at multiple stages of a MSWI plant was performed. This aimed to 
clarify their concentration and congener variations along the flue, with the 
goal of elucidating their formation mechanisms and control. This study confirmed 
that HBCD was present in daily MSW, and that PBDEs and PBDD/Fs can be 
unintentionally produced. The average mass emission factors of HBCD, PBDEs, and 
PBDD/Fs from stack gas were 6.4 ± 5.0, 98.8 ± 4.6, and 2.8 ± 1.7 μg t-1, 
respectively. HBCD and PBDEs were much higher in slag, raising concerns about 
the secondary release of brominated pollutants during the reprocessing or reuse 
of incinerator slag. The concentrations of PBDEs and PBDD/Fs increased after the 
air pollution control devices, largely due to the "memory effect", with 
regenerated PBDD/Fs being mainly high-brominated homologs. The disposal of HBCD 
increased PBDEs concentration and altered PBDD/F homolog distribution. Possible 
formation pathways of PBDEs and PBDD/Fs from HBCD were proposed. HBCD could 
degraded into brominated short-chain hydrocarbons and aromatic fragments, which 
may promote the formation of PBDEs and PBDD/Fs.

Copyright © 2024 Elsevier Ltd. All rights reserved.

DOI: 10.1016/j.jenvman.2024.123051
PMID: 39467465

Conflict of interest statement: Declaration of competing interest The authors 
declare that they have no known competing financial interests or personal 
relationships that could have appeared to influence the work reported in this 
paper.


5. Toxins (Basel). 2024 Sep 24;16(10):411. doi: 10.3390/toxins16100411.

Brevetoxin Aptamer Selection and Biolayer Interferometry Biosensor Application.

Hu B(1), Ouyang SQ(2), Zhu YP(2), Lu XL(2), Ning Z(1), Jiao BH(2), Wang LH(2), 
Yu HB(1), Liu XY(1).

Author information:
(1)Naval Medical Center of PLA, Naval Medical University, Shanghai 200433, 
China.
(2)College of Basic Medical Sciences, Naval Medical University, Shanghai 200433, 
China.

Brevetoxins (PbTxs) are very potent marine neurotoxins that can cause an illness 
clinically described as neurologic shellfish poisoning (NSP). These toxins are 
cyclic polyether in chemistry and have increased their geographical distribution 
in the past 2 decades. However, the ethical problems as well as technical 
difficulties associated with currently employed analysis methods for marine 
toxins have spurred the quest for suitable alternatives to be applied in a 
regulatory monitoring regime. In this work, we reported the first instance of 
concurrent aptamer selection of Brevetoxin-1 (PbTx-1) and Brevetoxin-2 (PbTx-2) 
and constructed a biolayer interferometry (BLI) biosensor utilizing PbTx-1 
aptamer as a specific recognition element. Through an in vitro selection 
process, we have, for the first time, successfully selected DNA aptamers with 
high affinity and specificity to PbTx-1 and PbTx-2 from a vast pool of random 
sequences. Among the selected aptamers, aptamer A5 exhibited the strongest 
binding affinity to PbTx-1, with an equilibrium dissociation constant (KD) of 
2.56 μM. Subsequently, we optimized aptamer A5 by truncation to obtain the core 
sequence (A5-S3). Further refinement was achieved through mutations based on the 
predictions of a QGRS mapper, resulting in aptamer A5-S3G, which showed a 
significant increase in the KD value by approximately 100-fold. Utilizing 
aptamer A5-S3G, we fabricated a label-free, real-time optical BLI aptasensor for 
the detection of PbTx-1. This aptasensor displayed a broad detection range from 
100 nM to 4000 nM PbTx-1, with a linear range between 100 nM and 2000 nM, and a 
limit of detection (LOD) as low as 4.5 nM. Importantly, the aptasensor showed no 
cross-reactivity to PbTx-2 or other marine toxins, indicating a high level of 
specificity for PbTx-1. Moreover, the aptasensor exhibited excellent 
reproducibility and stability when applied for the detection of PbTx-1 in spiked 
shellfish samples. We strongly believe that this innovative aptasensor offers a 
promising alternative to traditional immunological methods for the specific and 
reliable detection of PbTx-1.

DOI: 10.3390/toxins16100411
PMCID: PMC11510897
PMID: 39453187 [Indexed for MEDLINE]

Conflict of interest statement: The authors declare no conflicts of interest.