JOURNAL OF MOLECULAR LIQUIDS
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2025
·
IF 5.2
Jingyu Shan,Bingyu Tian,Yingying Yao,Mengyao Liu,Gaolu Fan,Weiwei Qi,Ping Wen,Rui Dong,Mingjin Fan
High-performance lubricants have always been an urgent need for high-end equipment lubrication and service stability. In this work, citric acid-based ester oils with different alkyl chain lengths were synthesized, and their physicochemical properties and tribological performance were compared with commercial ester oils (5750). The synthesized ester oil behaves the characteristics of green source, further also show strong adsorption and ultra-short running-in period during friction, as well as long-term lubrication stability in harsh environments. Structurally speaking, the longer carbon chains is more conducive to the improvement of lubricity, which may be related to the molecular orientation and interaction of ester oil molecules at the sliding asperity. In term of mechanism, the efficient adsorption of ester oil molecules, molecular self-assembly behavior and the formation of carbon layer are the key to the film formation on the metal sliding asperity, of course, which also shows a certain positive correlation with the molecular chain length. This work provides guidance for the molecular design strategy of high-performance ester oils.
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FLUID PHASE EQUILIBRIA
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2026
·
IF 2.7
Jian-an Wang,Jiahao Shi,Junyu Feng,Qingsong An,Shengshan Bi
High-pressure density data of n -alkanols are essential for the design of biodiesel blended fuels and fuel injection in marine engines. However, reliable experimental data for n -alkanols (C4–C7) under high pressures (up to 200 MPa) remain scarce. In this study, a high-pressure density measurement system based on the variable-volume method was established, achieving a combined expanded uncertainty of 0.27% ( k = 2). The densities of n -alkanols (C4–C7) were measured over the temperature range of 303.15–383.15 K and pressures up to 200 MPa. The measured data were accurately correlated using the Tammann-Tait equation, and the derived thermodynamic properties were obtained. Then, the parameters of the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state (EoS) for n -alkanols were optimized using the 2B association scheme. Within the experimental range, the average absolute relative deviation (AARD) between the calculated and experimental densities was <0.1%, demonstrating the applicability of the model for ultra-high-pressure volumetric calculations. This study addresses the gap in high-pressure property data for n -alkanols (C4–C7) and provides a critical experimental and modeling foundation for the development of efficient and clean marine power systems. Download: Download high-res image (351KB) Download: Download full-size image
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Russian Journal of Physical Chemistry A
·
2026
·Vol. 100
·期 7
·1360-1365
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IF 0.7
Xiaoru Pan,Kong Xiangyan,Li Dan
In this experiment, the viscosities and densities of binary systems consisting of cyclohexene oxide with 1-butanol, 1-pentanol, 1-hexanol, 1-heptanol were measured at different temperatures ranging from 298.15 to 313.15 K. Based on these data, excess molar volumes and viscosity deviations were calculated. The excess properties were correlated using the Redlich–Kister equation.
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MICROCHEMICAL JOURNAL
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2026
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IF 5.2
Chaojun He,Xiaohui Wang,Shanshan Zhang,Xiaoya Zhang
A sensomics-driven analytical platform was built for complex floral matrices. • Integrated HS-SPME-GC-O-MS and OAV mapping resolved 104 trace volatiles. • Omission tests successfully corrected discrepancies in independent OAV modeling. • Nine key chemometric markers were extracted to discriminate cultivar profiles. Quantifying and validating key odor-active compounds (OACs) in complex botanical matrices remains a significant challenge in modern analytical chemistry due to trace concentrations and complex matrix interferences. Traditional volatile profiling often relies solely on mass spectrometry (MS) or independent odor activity value (OAV) calculations, which fail to account for intermolecular synergistic or antagonistic effects. Applying this approach to Fengdan [FD] and Ziban [ZB] tree peony organs, 104 volatiles were mapped, revealing organ-specific metabolic tracks. PCA and HCA indicate significant differences in volatile compounds from different organs of peony. Through GC-O, OAV, aroma recombination, and omission experiments, 23 and 26 key aroma compounds were identified in ZB and FD petals, respectively, which contribute significantly to the formation of peony petals. Based on VIP > 1, nine key differential aroma compounds such as nonanal and geraniol were screened, which can be used to distinguish the petal aroma differences between FD and ZB. These findings provide a theoretical basis for the development of peony flower beverages and food. Download: Download high-res image (121KB) Download: Download full-size image
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JOURNAL OF CHROMATOGRAPHY A
·
2026
·
IF 4
Shu-shu Gao,Yun-feng Liu,Xiao-qing Yan,Li Yang,Run-qin Wang,Rong-rong Xing,Xuan Chen,Shuang Hu
● An alkyl polyglucoside-based switchable ternary supramolecular solvent was prepared. ● A switchable SUPRAS-DLLME procedure was established. ● The extraction mechanism was elucidated from multiple perspectives. ● The formation of SUPRAS was characterized by FT-IR and 1 H NMR spectroscopy. ● Wide-polarity analytes from traditional Chinese medicine were well enriched. A switchable supramolecular solvent based dispersive liquid-liquid microextraction method was developed for the preconcentration and determination of six main hepatotoxic ingredients in Chinese herbal medicine of “Psoraleae Fructus” combined with high performance liquid chromatography-ultraviolet detection. Based on the biodegradable alkyl polyglucoside and a switchable deep eutectic solvent composed of diethanolamine and hexanoic acid, a hydrophilic supramolecular solvent was prepared for the extraction of the target analytes from the aqueous sample solution, and the phase separation was obtained by adding hydrochloric acid solution. A combination of one-factor-at-a-time and central composite design was employed to investigate the primary factors influencing the extraction efficiency, including the composition and volume of alkyl polyglucoside-based switchable supramolecular solvent, the type and dosage of phase-switching trigger, extraction time and salt concentration of the sample solution. Under the optimal extraction conditions, the performance metrics of the proposed method were validated, demonstrating good linearity ( r ≥ 0.9979), low detection limits, satisfactory precisions (relative standard deviation≤6.4%) and spiked recoveries (90.3%–107.8%). The enrichment factors for six target analytes ranged from 64 to 666 greater than the published reports. The formation of the supramolecular solvent was characterized by utilizing Fourier transform infrared spectroscopy and proton nuclear magnetic resonance spectroscopy. The extraction mechanism was elucidated by analytes properties, theoretical calculation and the molecular docking. The greenness of the proposed method was assessed by AGREE and AGREEprep tools. The established method possessed good extraction efficiency and could effectively enrich the components with varying polarities in complex matrices. Download: Download high-res image (225KB) Download: Download full-size image
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JOURNAL OF MOLECULAR LIQUIDS
·
2025
·
IF 5.2
Houchun Yan,He Ma,Xuqiang Li,Tao Li,Wenxue Lu,Qingsong Li
For separating ethyl lactate from an aqueous solution, alkyl alcohols were selected as extractive solvents for experimental exploration and mechanism analysis. The liquid–liquid equilibrium data of {water + ethyl lactate + alkyl alcohols (1-pentanol, 1-heptanol, 1-octanol, and 1-nonanol)} were measured in 303.2 K and 101.3 kPa, and the distribution coefficient and separation factor of each system were calculated to evaluate the extraction effect. Meanwhile, the NRTL and UNIQUAC models were correlated with experimental data, and the model parameters were regressed. The UNIFAC model was used to predict the LLE data. The regression model parameters were checked using the GMcal_TieLinesLL tool, and the results meet the Gibbs stability criteria. The separation mechanism was explored by analyzing σ-profile, deformation charge density, interaction energy, and RDG analysis.
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MOLECULES
·
2026
·Vol. 31
·期 7
·1163
·
IF 5.1
Meiqi Gao,Xinyan Hou,Hongmei Li,Yansen Han,Jianing Wang,Yanqiu Cao
Pharmaceuticals and personal care products (PPCPs), as persistent organic pollutants, are widely present in various aquatic environments. Their long-term presence in aquatic environments poses a potential threat to ecosystems and human health. This study established an efficient, green, and cost-effective photocatalytic method using P25 titanium dioxide (P25TiO2) to simultaneously degrade five representative PPCPs (methyl paraben (MeP), carbamazepine (CBZ), bisphenol A (BPA), diclofenac (DFC), and triclosan (TCS), while elucidating the reaction mechanisms. Under sunlight irradiation, degradation rates for all five PPCPs reached 100%, achieving near-complete mineralization with total organic carbon (TOC) removal rates exceeding 95%. This demonstrates the system’s exceptional capability to not only degrade the parent compounds but to thoroughly convert them into benign inorganic substances. We systematically investigated the effects of catalyst concentration, initial pollutant concentration, light intensity, pH, and various common inorganic anions (chloride, sulfate, bicarbonate, phosphate) and humic acid (HA) on the degradation process. Additionally, mechanistic studies indicated that hydroxyl radicals (·OH) are the primary active species in the system. The degradation rate differences among various persistent organic pollutants (DFC > BPA > TCS > CBZ > MeP) primarily stem from variations in the reactivity of different functional groups within their molecular structures toward ·OH. In summary, this study provides a promising and practical solution for treating complex medical wastewater containing five typical PPCPs.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2023
·
IF 6.1
Yun-Feng Ma,Lang-Lang Gong,Meng-Qi Zhang,Xuan-Zheng Liu,Huan Guo,J. Joe Hull,Gui-Jun Long,Hong Wang,Youssef Dewer,Fan Zhang,Ming He,Peng He
Insects have evolved an extremely sensitive olfactory system that is essential for a series of physiological and behavioral activities. Some carboxylesterases (CCEs) comprise a major subfamily of odorant-degrading enzymes (ODEs) playing a crucial role in odorant signal inactivation to maintain the odorant receptor sensitivity. In this study, 93 CCEs were annotated in the genome of the German cockroach Blattella germanica, a serious urban pest. Phylogenetic and digital tissue expression pattern analyses identified two antenna-enriched CCEs, BgerCCE021e3 and BgerCCE021d1, as candidate ODEs. RNA interference (RNAi)-mediated knockdown of BgerCCE021e3 and BgerCCE021d1 resulted in partial anosmia with experimental insects exhibiting reduced attraction to ester volatile resources and slower olfactory responses than controls. Furthermore, enzymatic conversion of geranyl acetate by crude male antennal extracts from BgerCCE021e3 and BgerCCE021d1 RNAi insects was also significantly reduced. Our results provide evidence for CCE function in German cockroach olfaction and provide a basis for further exploring behavioral inhibitors that target olfactory-related CCEs.
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Nature Communications
·
2023
·Vol. 14
·期 1
·1-12
·
IF 16.6
Liu Kai,Yang Hao,Jiang Yilan,Liu Zhaojun,Zhang Shumeng,Zhang Zhixue,Qiao Zhun,Lu Yiming,Cheng Tao,Terasaki Osamu,Zhang Qing,Gao Chuanbo
Metastable noble metal nanocrystals may exhibit distinctive catalytic properties to address the sluggish kinetics of many important processes, including the hydrogen evolution reaction under alkaline conditions for water-electrolysis hydrogen production. However, the exploration of metastable noble metal nanocrystals is still in its infancy and suffers from a lack of sufficient synthesis and electronic engineering strategies to fully stimulate their potential in catalysis. In this paper, we report a synthesis of metastable hexagonal Pt nanostructures by coherent growth on 3 d transition metal nanocrystals such as Ni without involving galvanic replacement reaction, which expands the frontier of the phase-replication synthesis. Unlike noble metal substrates, the 3 d transition metal substrate owns more crystal phases and lower cost and endows the hexagonal Pt skin with substantial compressive strains and programmable charge density, making the electronic properties particularly preferred for the alkaline hydrogen evolution reaction. The energy barriers are greatly reduced, pushing the activity to 133 mA cm geo –2 and 17.4 mA μg Pt –1 at –70 mV with 1.5 µg of Pt in 1 M KOH. Our strategy paves the way for metastable noble metal catalysts with tailored electronic properties for highly efficient and cost-effective energy conversion.
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FOOD CHEMISTRY
·
2022
·
IF 9.231
Yun-Jiao Ma,Tao Zhou,Wei Jiang,Bei-Wei Zhu,Ming Du,Xian-Bing Xu
Although the compound profiles in extracts are linked to the solid-phase microextraction (SPME) position (headspace or liquid), a theoretical interpretation of this scenario has not yet been provided. In this study, the dynamic linked position unity (DLPU)-SPME is proposed as a method that allows balanced extraction of volatile and semi-volatile compounds. Furthermore, the pH, temperature, and salt were confirmed as the key factors affecting the extraction efficiency of DLPU-SPME. Theoretical calculations indicated that K fs 0 K fs is a key factor directly indicating the SPME extraction position ( K fs 0 K fs > 1, headspace; K fs 0 K fs = 1, any position; K fs 0 K fs < 1, in liquid), while the target analytes determined that V h K hs + V s V e K fh K hs regulates the effect of the extraction position on the extracted amount. The proposed DLPU-SPME method containing both extraction positions (i.e., headspace and liquid) can simultaneously extract volatile and semi-volatile compounds, thus avoiding extraction bias.
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TALANTA
·
2022
·
IF 6.556
Yaxing Ma,Yaoyu Luo,Xinrui Feng,Chuixiu Huang,Xiantao Shen
Outbreaks of emerging viral respiratory infectious diseases (VRIDs) including coronavirus disease 2019 (COVID-19) seriously endanger people's health. However, the traditional nucleic acid detection required professionals and larger instruments and antigen-antibody detection suffered a long window period of target generation. To facilitate the VRIDs detection in time for common populations, a smartphone-controlled biosensor, which integrated sample preparation (electromembrane extraction), biomarker detection (red-green-blue model) and remote response technology (a built-in APP), was developed in this work. With the intelligent biosensor, VRIDs could be recognized in the early stage by using endogenous hydrogen sulfide as the biomarker. Importantly, it only took 15 min to accomplish the whole process of screening and response to VRIDs. Moreover, the experimental data showed that this smartphone-controlled biosensor was suitable for ordinary residents and could successfully differentiate non-communicable respiratory diseases from VRIDs. To the best of our knowledge, this is the first time that a smartphone-controlled biosensor for screening and response to VRIDs was reported. We believe that the present biosensor will help ordinary residents jointly deal with the challenges brought by COVID-19 or other VRIDs in the future.
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Analytical Methods
·
2022
·Vol. 15
·期 3
·361-367
·
IF 3.532
Chengjian Zhang,Sichen Li,Ruijie Zheng,Shengdi Tai,Kang Yang,Kun Zhang
Lower alcohols (C1–C7) have a close relationship with our lives and some of them are harmful to our body's health. For example, liquor mixed with a tiny amount of methanol is harmful to our health. Much of this study is about identifying one or two low-level alcohols. How to detect low-level alcohol and high-throughput and distinguish between analogues of alcohol remains a tremendous challenge. In this study, a new large ring Schiff base Sm(III) complex (Sm-2r) is synthesized with a double emission matrix using the template method. Its dynamic imine bond (CN) and organic ligands (H2L2r) with molecular rotor properties can respond to changes in viscosity and polarity in external environments. The PCA method is used to turn the data matrix into a fingerprint spectrum to distinguish different alcohols (C1–C7). Sm-2r enables the quantization of cyclopropyl and glycerol. Linear ranges of cyclopropanol and glycerol are 0–9.0% and 0–3.0% (v/v), respectively. In addition, Sm-2r has an excellent ability to distinguish the mixtures of n-PrOH and i-PrOH, C5H9OH and C6H11OH, n-PeOH and n-HeOH, 1,3-PDO and 1,2-PDO, MeOH and EtOH, 1,2-EG and 1,2-PDO at different volume ratios. We have provided a way to distinguish alcohol species based on their molecular polarity and viscosity.
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