BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
·
2025
·
IF 2.2
Yuping Liu,Zhipeng Li,Ke Shen,Hua Huang,Xinshuai Zhang
Pantothenic acid (also known as pantothenate or vitamin B5), the obligate precursor of coenzyme A, is universally required in all branches of life. Although its biosynthetic pathways are well characterized, its catabolism remains poorly understood, constraining our insights into its broader biological roles and disease associations. By synergistic analysis of sequence similarity network (SSN) and genome neighborhood network (GNN) of pantothenate permease (UniProt ID: P16256 ) homologues, we identify a compact catabolic gene cluster for pantothenic acid in Geobacillus thermodenitrificans NG80-2. In vitro enzymatic activity assays indicate that pantothenic acid is first hydrolyzed to β-alanine and ( R )-pantoate by pantothenase belonging to the peptidase_M20-M20_dimer family (PF01546-PF07687), structurally distinct from the canonical pantothenase in amidase family (PF01425), and then ( R )-pantoate is sequentially oxidized into aldopantoate, ( R )-3,3-dimethylmalate, and α-ketoisovalerate by three dedicated dehydrogenases. The gene cluster is widespread within Bacillota phylum inhabiting high-temperature, hypersaline or alkaline niches, contrasting with previously described pathway restricted to Pseudomonadota, whose catabolic genes are scattered across the genomes. This work expands our knowledge about the pantothenic acid catabolism and reinforces the value of the transporter-focused genome mining strategy applicable for pathway discovery.
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PubMed
高影响因子
MINERALS ENGINEERING
·
2025
·
IF 5
Qiuyue Sheng,Zhen Li,Wenjing Feng,Yuxuan Yang,Zhanglei Zhu,Ningning Zhang,Wanzhong Yin
As one of the main copper oxide minerals, the strong surface hydrophilicity induces the low recovery of malachite and decreases the utilization efficiency of copper metal. In this work, the interface hydration structure of malachite and regulation mechanism by bis(2-ethylhexyl)phosphate (D2EHPA) were revealed via density functional theory (DFT) calculations, molecular dynamics (MD) simulations, X-ray photoelectron spectroscopy (XPS) analysis, contact angle and Zeta potential measurements. Flotation tests and contact angle measurements showed that D2EHPA exhibited excellent concentration selectivity for malachite against muscovite and quartz, enhanced the malachite recovery to 90.65 % with the dosage of 50 mg/L at pH 7.0, and the contact angle of malachite increased from 23.0° to 111°. Zeta potential analysis confirmed the selective adsorption of D2EHPA on malachite surface, electrostatic attraction occurred between D2EHPA and malachite surface when pH < 8.0. XPS analysis and DFT calculations further confirmed the adsorption of D2EHPA on malachite surface. Moreover, the adsorption of D2EHPA mainly via the chemical bonding between O1 (P=O), O2 (P-OH) and the Cu on malachite surface. MD simulations revealed that the average D2EHPA molecule interaction energy with malachite (−2 0 1) surface was −36.522 kJ/mol, increased the interaction energy of H 2 O on malachite (−2 0 1) surface from −1.293 kJ/mol to −0.824 kJ/mol, decreased the number density of H 2 O molecule towards malachite (−2 0 1) surface from 0.18 Å -3 to 0.12 Å -3 , induced hydrophobicity of malachite surface.
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Science Advances
·
2026
·Vol. 12
·期 9
·
IF 13.9
Haoran Liu,Zihe Jiang,Zhiwei Hu,Banghuan Zhang,Tao He,Xiaohui Dong,Chaowei Sun,Jun Tian,Wei Jiang,Ferruccio Pisanello,Huatian Hu,Wen Chen,Hongxing Xu
Capturing molecular dynamics in nanoconfined channels with high spatiotemporal resolution is a key challenge in nanoscience, crucial for advancing catalysis, energy conversion, and molecular sensing. Bottom-up ultrathin plasmonic nanogaps, such as nanoparticle-on-mirror (NPoM) structures, are ideal for ultrasensitive probing due to their extreme light confinement, but their perceived sealed geometry has cast doubt on the existence of accessible transport pathways. Here, counterintuitively, we demonstrate that ubiquitous ligand-capped NPoM-type nanogaps can form a natural quasi–two-dimensional nanochannel, supporting molecular exchange and infiltration over unprecedented length scales (≳5 micrometers) with an extreme aspect ratio (>10 3 ). Using wavelength-multiplexed Raman spectroscopy, we resolve the underlying centripetal infiltration pathway with a spatial resolving power of ~20 nanometers. This redefines the NPoM architecture as a sensitive and hotspot-accessible platform, enabling in situ, real-time, reusable monitoring of analyte with ~10 −11 molar. This work establishes a versatile platform for advancing super-resolved in situ molecular sensing, nanoscale physicochemical studies, and on-chip nanophotofluidics.
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高影响因子
Nanoscale
·
2026
·
IF 5.2
Yaxin Xu,Zhongshuang Xu,Huanran Miao,Zhimao Yang,Chuncai Kong,Qikui Fan
Controlled phase evolution in catalytic architecture design remains challenging for selective CO2-to-formate conversion using non-precious metals. We present a sequential plasma-electrochemical strategy converting BiOCl precursors into nanoporous Bi networks. Plasma treatment of BiCl3-C yields metastable BiOCl with atomic disorder and mesopores; subsequent electrochemical activation reconstructs it into interconnected Bi nanoporous structures (20-50 nm pores) for efficient CO2 reduction. The catalyst affords 93.4% formate Faradaic efficiency at 300 mA cm -2 , >90% selectivity over 100-500 mA cm -2 , and only 3.2% FE loss in 10 h-outperforming thermal Bi catalysts by ~13.3 points in retention. Operando spectroscopy and simulations show plasma-induced lattice distortions lower the reconstruction barrier, creating electric field-enhanced porous Bi that concentrates K + and stabilizes *OCHO -, promoting formate while suppressing HER. This work establishes a paradigm for metastable electrocatalyst design via coupled non-equilibrium synthesis and electrochemical reconstruction, enabling scalable CO2 conversion at industrially relevant currents.2
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JOURNAL OF FOOD SCIENCE
·
2026
·Vol. 91
·期 2
·e70878
·
IF 3.4
Naijun Dong,Nasha Wu,Shu Huang,Yuesheng Dong,Zhilong Xiu
Type 2 diabetes mellitus (T2DM), one of the most rapidly growing metabolic disorders globally, poses a substantial public health burden. In this study, a novel edible eutectogel was innovatively developed for the co-delivery of natural active ingredients, baicalein (Bai), and 1-deoxynojirimycin (DNJ). Utilizing a deep eutectic solvent (DES) system, the hydrophobic Bai and hydrophilic DNJ were co-dissolved and encapsulated within the eutectogel (Bai-DNJ/EG), enabling gastric protection and targeted intestinal release. Animal experimental demonstrated that the Bai-DNJ/EG significantly ameliorated multiple pathological features, including blood glucose reduction, improved insulin sensitivity, attenuated systemic inflammation, decreased fat accumulation, and mitigated organ damage. Compared with Bai/EG and DNJ/EG, Bai-DNJ/EG exhibited superior therapeutic efficacy across all parameters, indicating a synergistic effect between the Bai and DNJ. The dose of Bai in Bai-DNJ/EG was reduced by 50% relative to previous studies, and DNJ was 7.5 times less than that of clinical use in a Chinese herbal preparation for lowering blood glucose. In addition, comparison of lipid metabolism and inflammatory factors between Bai HG and Bai/EG groups indicated that DES enhanced the pharmacological activity of Bai by improving its solubility. Furthermore, 16S rRNA sequencing revealed that Bai-DNJ/EG positively regulates gut microbiota homeostasis and repairs the intestinal barrier. Bai-DNJ/EG inhibited deleterious bacteria including Methanobacteriaceae, Pseudomonadota , Campylobacterota , and Spirochaetota , while promoted the SCFA-producing bacteria, for example, Muribaculaceae and Butyricicoccaceae. This study presents a groundbreaking strategy for the synergistic delivery of natural bioactives and establishes a new paradigm for modernized traditional natural medicine formulations.
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Energy & Environmental Materials
·
2026
·
IF 14.1
Yanmei Deng,Yu Mao,Mengyang Wang,Yuanyuan Huang,Wenjian Chan,Ziyang Ren,Ening Gu,Sambasivam Sangaraju,Xianzhong Lin,Guowei Yang
Cu 2 ZnSn(S,Se) 4 (CZTSSe) thin-film solar cells have garnered significant interest owing to their appealing properties, such as earth-abundant composition, environmental friendliness, high light absorption coefficient and optimal bandgap. However, current high-efficiency CZTSSe devices (>13%) are predominantly fabricated by spin-coating, which is limited in scalability for mass production. To overcome this issue, we developed a scalable doctor-blading method compatible with roll-to-roll processing. For the first time, a molecular precursor ink based on 2-methoxyethanol solvent was adapted in doctor-blading for CZTSSe thin film preparation. The preheating temperature was systematically optimized to obtain high-quality precursor layers. It was found that the preheating temperature significantly influences the solvent evaporation kinetics, leading to the formation of cracks of varying sizes on the precursor film surface. At the optimal preheating temperature of 340 °C, moderately sized cracks were generated, which effectively facilitated the penetration of Se vapor during selenization and promoted grain growth in the absorber layer. This optimization notably enhanced the crystallinity and reduced the defect density of the CZTSSe absorbers. Furthermore, Kelvin probe force microscopy measurements revealed that the films preheated at 340 °C exhibited pronounced downward band bending at grain boundaries and the narrowest contact potential distribution, which effectively promoted charge carrier separation and suppressed nonradiative recombination. Consequently, a record power conversion efficiency of 13.26% was achieved for doctor-bladed CZTSSe solar cells. This work demonstrates a viable and scalable strategy for producing low-cost and highly efficient CZTSSe thin-film photovoltaics.
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JOURNAL OF SOLID STATE CHEMISTRY
·
2018
·
IF 2.179
Jiehua Wang,Lijia Zhou,Yanhui Wang,Jungu Xu,Xiaoyan Yang,Xiaojun Kuang
Interstitial oxide ion conducting Pb 0.7 La 0.3 WO 4.15 scheelite material was synthesized by a traditional high-temperature solid state reaction method and its structure was analyzed by Rietveld method on neutron powder diffraction (NPD) data, which indicates the positional disorder owing to the existence of extra oxygen from donor doping of La 3+ for Pb 2+ . Atomistic static-lattice simulation indicates that interstitial oxygen defects are accommodated via entering into the bonding environment of WO 4 , resulting in local corner-shared W 2 O 9 polyhedral units. The molecular dynamic simulations show that the interstitial oxide ion can move among the WO 4 tetrahedral units through a synergic mechanism involving continuous breaking and reformation of W 2 O 9 units assisted by rotation and deformation of WO n polyhedra and knock-on process between oxygen atoms.
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COMBUSTION AND FLAME
·
2021
·
IF 4.185
Qianjin Lin,Chun Zou,Shibo Liu,Yunpeng Wang,Lixin Lu,Chao Peng
The ignition delay times (IDTs) of 2-pentanone (methyl propyl ketone , MPK) were measured at equivalence ratios of 0.5, 1.0, and 1.5, pressures of 1 bar and 5 bar, and temperatures ranging between 1227 and 1571 K. A MPK low to high-temperature model was constructed on the basis of Pieper model and Fenard model. The improvement of the model is that the rate constants of sixteen MPK decomposition and hydrogen abstraction reactions (R1–R16) obtained by the analogy-based method, were globally optimized by the Bayesian Optimization algorithm using the high-temperature IDTs. The optimized model well predicts the laminar flame speeds (measured by Li et al.) and the IDTs and species profiles in low-temperature (measured by Fenard et al.). There is no overfitting during the optimization process. Therefore, the optimization method and the optimized MPK model are reliable. The comparisons of the optimized model with Pieper model and Fenard model were performed by the reaction pathway analysis and sensitivity analysis for the predictions of the MPK profile, the low and high-temperature IDTs and the laminar flame speeds. Because of the difference in the molecular structure between MPK and 2-butanone, remaining the branching ratio among three MPK decompositions (R1–R3) and the ratio among the rate constants of the MPK hydrogen abstraction reactions by OH, H and CH 3 unchanged is unnecessary in the development of the MPK model using the analogy-based method, while the branching ratio of the hydrogen abstraction reactions at carbon 1, 3, and 5 remains unchanged. The competition among the decomposition and hydrogen abstraction reactions of MPK is intricate and crucial to the low and high-temperature oxidation . It is necessary to globally optimize the rate constants of R1-R16 based on the multidimensional experimental results, such as low and high-temperature IDTs, laminar flame speeds, and species profiles.
研究领域:
燃烧化学
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化学动力学
·
能源工程
·
反应机理建模
·
优化算法
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高影响因子
JOURNAL OF CHEMICAL SCIENCES
·
2024
·Vol. 136
·期 4
·82
·
IF 1.7
Qin Xiao-Li,Ding Xue-Qing,Li Yu-Qin,Yu Yi-Hao,Xu Fan,Rong Zhou
A method for synthesizing 3-substituted isocoumarins under copper catalysis involves the cyclization reaction of o -bromobenzoic acid and alkynes in DMSO, with the assistance of K 2 CO 3 at 100 °C. It exhibits a wide range of substrate compatibility and excellent tolerance towards diverse functional groups. Graphical abstract A method for synthesizing 3-substituted isocoumarins under copper catalysis involves the cyclization reaction of o-bromobenzoic acid and alkynes in DMSO, with the assistance of K 2 CO 3 at 100 °C. This reaction demonstrates a synthesis yield of 8–81% for 3-substituted isocoumarins.
研究领域:
有机化学
·
有机合成化学
·
催化化学
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高影响因子
Acta Crystallographica Section C-Structural Chemistry
·
2024
·Vol. 80
·期 8
·366-374
·
IF 0.7
Ma Y.H.,Yang K.,Qian Y.L.,Hong W.P.,Zhang K.Y.,Tao Z.W.,Meng H.,Ma W.J.
The structures of three 1:1 cocrystal forms of etoricoxib {ETR; systematic name: 5-chloro-2-(6-methylpyridin-3-yl)-3-[4-(methylsulfonyl)phenyl]pyridine, C18H15ClN2O2S} have been synthesized and characterized by single-crystal X-ray diffraction; these are etoricoxib–benzoic acid (1/1), C18H15ClN2O2S·C7H6O2 (ETR–Bz), etoricoxib–4-fluorobenzoic acid (1/1), C18H15ClN2O2S·C7H5FO2 (ETR–PFB), and etoricoxib–4-nitrobenzoic acid (1/1), C18H15ClN2O2S·C7H5NO4 (ETR–PNB). Powder X-ray diffraction and thermal differential scanning calorimetry–thermogravimetry (DSC–TG) techniques were also used to characterize these multicomponent systems. Due to the influence of the corresponding acids, ETR shows different conformations. Furthermore, the energetic contributions of the supramolecular motifs have been established by energy framework studies of the stabilizing interaction forces and are consistent with the thermal stability of the cocrystals.
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PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
·
2023
·
IF 1.3
Fu-Hao Zhang,Huan Zhang,Chang-Xing Sun,Peng-Hui Li,Lin Jiang
A series of 1-[2-(4-methyl-2-(methylthio)pyrimidine-5-carboxamido)phenyl]ethyl-substitutedphenyl carbamates (3a–3i) were designed and synthesized, using 4-methyl-2-(methylthio)pyrimidine-5-carboxylic acid, (2-aminophenyl)ethan-1-one, and substituted phenyl isocyanates as starting materials. Their structures were characterized by 1H NMR, 13C NMR, IR and HRMS. The in vitro fungicidal activities against Sclerotinia sclerotiorum were evaluated, and the result showed that some compounds displayed moderate antifungal activity with >60% inhibitory rates, among which 1-[2-(4-methyl-2-(methylthio)pyrimidine-5-carboxamido)phenyl] ethyl-(2- methyl phenyl)carbamate (3a) and 1-[2-(4-methyl-2-(methylthio)pyrimidine-5- carboxamido)phenyl] ethyl-(3-trifluoromethyl phenyl)carbamate (3g) held inhibitory rates of 69.5% and 70.3% at 100 mg/L, respectively. Molecular docking study showed that 3g can form two hydrogen bonds and a cation-π interaction with succinate dehydrogenase.
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2026
·
IF 3.9
Zhenzhen Cui,Baoying Wang,Ruirui Li,Zihao Wang,Weicheng Fu,Junying Yan,Liang Wu,Yaoming Wang,Tongwen Xu
The development of efficient separation technologies for Bi3+ is highly desirable to meet the increasing demand for technology-critical bismuth. In this study, bis(2-ethylhexyl) phosphate (HDEHP)-functionalized pore-filling membranes were fabricated for the efficient separation of Bi3+ and Cu2+ via electrodialysis. Microstructural and chemical characterizations demonstrated the superior compatibility between HDEHP and the polymer chains. The tight arrangement of functional groups within the membrane established a continuous transport pathway for metal ions, enabling selective separation of Bi3+ via an ion-exchange process. Under optimal conditions, the Bi3+ flux reached 2.6 mmol m–2 h–1 with an outstanding perm-selectivity PCu2+Bi3+ of 26.3 during electrodialysis. Moreover, the separation efficiency could be further improved by increasing the number of repeating membrane units, laying a foundation for practical industrial applications. This work provides a promising candidate for the efficient and convenient selective recovery of technology-critical metals from industrial wastewater.
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