MatChat: A large language model and application service platform for materials science

The prediction of chemical synthesis pathways plays a pivotal role in materials science research. Challenges, such as the complexity of synthesis pathways and the lack of comprehensive datasets, currently hinder our ability to predict these chemical processes accurately. However, recent advancements in generative artificial intelligence(GAI), including automated text generation and question–answering systems, coupled with fine-tuning techniques, have facilitated the deployment of large-scale AI models tailored to specific domains. In this study, we harness the power of the LLaMA2-7B model and enhance it through a learning process that incorporates 13878 pieces of structured material knowledge data.This specialized AI model, named Mat Chat, focuses on predicting inorganic material synthesis pathways. Mat Chat exhibits remarkable proficiency in generating and reasoning with knowledge in materials science. Although Mat Chat requires further refinement to meet the diverse material design needs, this research undeniably highlights its impressive reasoning capabilities and innovative potential in materials science. Mat Chat is now accessible online and open for use, with both the model and its application framework available as open source. This study establishes a robust foundation for collaborative innovation in the integration of generative AI in materials science.

Acupuncture and moxibustion for irritable bowel syndrome:An umbrella systematic review

BackgroundIrritable bowel syndrome(IBS)is a functional bowel disease characterized by abdominal pain or discomfort associated with altered bowel habits.Several clinical studies have demonstrated the effectiveness of acupuncture and moxibustion for IBS.Many systematic reviews of acupuncture and moxibustion for IBS have been published in recent years,but their results are not entirely consistent.ObjectiveTo evaluate the methodological,reporting,and evidence quality of systematic reviews of acupuncture and moxibustion for IBS.Search strategySystematic reviews of acupuncture and moxibustion for IBS published before February 20,2023 were searched in eight databases:PubMed,Embase,Cochrane Library,Web of Science,China National Knowledge Infrastructure,Wanfang Data,VIP Database for Chinese Technical Periodicals,and China Biology Medicine.The keywords used for literature search were acupuncture,moxibustion,systematic review,meta-analysis,and irritable bowel syndrome.Inclusion criteriaSystematic reviews and meta-analyses of randomized controlled trials of acupuncture and moxibustion for IBS were included.Data extraction and analysisRelevant information was independently extracted by two investigators.The A MeaSurement Tool to Assess systematic Reviews 2(AMSTAR 2),Preferred Reporting Items for Systematic Reviews and Meta-Analyses(PRISMA 2020),and Grading of Recommendations Assessment,Development and Evaluation(GRADE)were used to evaluate the methodological quality,reporting quality and evidence quality,respectively.ResultsA total of 342 studies were retrieved and 15 systematic reviews were included.The results of AMSTAR 2 showed low methodological quality in 2 studies and very low methodological quality in the remaining 13 studies,with main issues being failure to register a protocol,incomplete search strategy,not providing a list of excluded studies,incomplete consideration of the risk of bias in the included studies,and a failure to assess the publication bias.The results of PRISMA 2020 showed seriously deficient reporting quality of 2 studies,somewhat deficient reporting quality of 12 studies,and relatively complete reporting quality of 1 study,with the main problems being lack of a complete search strategy,non-availability of a list of excluded studies with justification for their exclusion,not conducting heterogeneity and sensitivity analyses,not evaluating the credibility of the evidence,and not registering the protocol.The results of GRADE showed that the quality of the evidence is low or very low.ConclusionMost included systematic reviews interpreted findings to suggest that acupuncture and moxibustion have benefits for IBS.However,there is a need to improve the methodological,reporting and evidence quality of the systematic reviews.Larger,multicenter,rigorously designed randomized controlled trials and high-quality systematic reviews are required to obtain more robust evidence.

Crystallography,Packing Mode,and Aggregation State of Chlorinated Isomers for Efficient Organic Solar Cells

Revealing the molecular packing,intermolecular interactions,and aggregation behaviors in the nanocrystalline bulk heterojunction(BHJ)domains undertake the tasks for future materials design for efficient solar cells,especially in understanding the structure–property relationship of isomeric non-fullerene acceptors(NFAs).Theoretical calculations reveal that 2ClIC-βδ,withβ-andδ-chlorine-substituted terminal groups,achieves a relatively higher dipole moment for enhanced intermolecular interactions.More importantly,when comparing the single-crystal X-ray diffraction patterns of three isomeric NFAs,BTIC-BO4Cl-βδ,BTIC-BO4Cl-βγ,and BTIC-BO4Cl,the synergistic effect of chlorine atoms at theβ-andδ-positions endows BTIC-BO4Cl-βδbetter molecular planarity with a dihedral angle of 1.14°.In turn,this creates the shortestπ∙∙∙πdistance(3.28Å)and smallest binding energies(−51.66 kcal mol^(−1))of the three NFAs,resulting in the tightest three-dimensional network packing structure with a framework of L_(x)=14.0Åand L_(y)=13.6Å.Such a structure has multiple intermolecular interactions for better charge transfer.However,the chlorine atomat theγ-position in the other two isomers contributes to non-intermolecular interactions with subordinate packing arrangements.Subsequently,the red-shifted UV-absorption and higher electron mobility observed in neat films of BTIC-BO4Cl-βδagree well with its more ordered crystallinity.This leads to a more suitable fiber-like phase separation in the corresponding active blend,ultimately improving the device performance with superior charge transport.As a result,the highest power conversion efficiency of 17.04%with a current density of 26.07 mA cm^(−2)was obtained with the BTIC-BO4Cl-βδ-based device.The carrier dynamics test and grazing incidence wide-angle X-ray scattering measurement indicate that the packing arrangement of molecules in the nanocrystalline BHJ domains is consistent with their crystallinity.This work investigates the structure–property differences in three acceptors and emphasizes the effect of isomeric chlorine substitution,which suggests that changes in the crystal packing arrangement,especially the size of the framework,have a considerable influence on charge carrier transport and ultimately are reflected on the device efficiency elevation.

High-fat diet-induced adipose tissue expansion occurs prior to insulin resistance in C57BL/6J mice

Background::To date,there is only scare evidence characterizing the temporal features and progression of metabolic dysfunction in high-fat diet(HFD)-fed obese mice.Hence,its specific pathogenesis remains unclear.Methods::Sixty 6-week-old male C57BL/6J mice were randomly divided into HFD and control diet(CD)groups and sacrificed at 1,5,9,13,17,and 21 weeks,respectively.At weekly intervals,intraperitoneal glucose tolerance testing(IPGTT)and intraperitoneal insulin tolerance testing(IPITT)were performed in both groups.A detailed time course in HFD-fed mice was investigated by evaluating the initiation of glucose homeostasis impairment,dyslipidemia,systemic insulin sensitivity,monocyte chemoattractant protein-1(MCP-1)levels,epididymal white adipose tissue(eWAT)expansion,macrophage content changes,proinflammatory(M1)/anti-inflammatory(M2)macrophage imbalance,lipid accumulation in the liver,andβ-cell morphometry in the pancreas.Results::In the HFD group,progressive weight gain and impairments in glucose metabolism(elevated fasting blood glucose and area under the curve(AUC)of IPGTT)were observed from the 3rd week,and a significantly elevated AUC of IPITT was first detected after week 7 of HFD feeding.As for dyslipidemia,after 9 weeks of feeding,the low-density lipoprotein cholesterol level and total cholesterol level in HFD group were significantly higher than those in the CD group(all P<0.05),whereas no significant differences were shown in triglyceride level.Adipocyte size increased significantly in the HFD group in the 1st week,a phenotypic switch in eWAT from anti-inflammatory(M2)to pro-inflammatory(M1)macrophages was observed in the 5th week,and the metabolic inflammation was distinct in eWAT in the 9th week.Additionally,liver steatosis was considerably obvious at the 17th week and pancreaticβ-cell morphometry did not change during 21 weeks of HFD feeding.Conclusion::The eWAT expansion was detected early in HFD-induced obese mice,which occurred prior to obvious insulin resistance.

Secondary Metal Coordination Using a Tetranuclear Complex as Ligand Leading to Hexanuclear Complexes with Enhanced Thermal Barriers for Electron Transfer

Postsynthesis of the paramagnetic square-shaped complex{[(Tp*Me)Fe(μ-CN)_(2)(CN)][Co(dmbpy)_(2)]}_(2)(BPh_(4))_(2)·6MeCN·H2O[1,Tp*Me=tris(3,4,5-trimethylpyrazole)-borate;dmbpy=4,4′-dimethyl-2,2′-bipyridine)]by grafting transition metal(II)thiocyanates via its terminal cyano groups afforded three hexanuclear[Fe_(2)Co_(2)M_(2)]clusters(M=Zn,2;Co,3;Cd,4).The peripheral metal-complex units serving as excellent electron acceptors were found to help stabilize the low-temperature state of Fe^(II,LS)–Co^(III,LS) within the complex core.