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Rational surface charge engineering of haloalkane dehalogenase for boosting the enzymatic performance in organic solvent solutions

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chinese Journal of chemical Engineering 2024年第1期65卷 276-285页

作者： Yin Wu yan Sun Department of Biochemical Engineering School of Chemical Engineering and Technology and Key Laboratory of Systems Bioengineering and Frontiers Science Center for Synthetic Biology(Ministry of Education)Tianjin UniversityTianjin 300350China

Biocatalysis in organic solvents(OSs)has numerous important applications,but native enzymes in OSs often exhibit limited catalytic ***,we proposed a computation-aided surface charge engineering strategy to improve the catalytic performance of haloalkane dehalogenase DhaA in OSs based on the energetic analysis of substrate binding to the DhaA *** variants with enhanced OS resistance were obtained by replacing negative charged residues on the surface with positive charged residue(Arg).Particularly,a four-substitution variant E16R/E93R/E121R/E257R exhibited the best catalytic performance(five-fold improvement in OS resistance and seven-fold half-life increase in 40%(vol)dimethylsulfoxide).As a result,the overall catalytic performance of the variant could be at least 26 times higher than the wild-type *** spectroscopy and molecular dynamics simulation studies revealed that the residue substitution mainly enhanced OS resistance from four aspects:(a)improved the overall structural stability,(b)increased the hydrophobicity of the local microenvironment around the catalytic triad,(c)enriched the hydrophobic substrate around the enzyme molecule,and(d)lowered the contact frequency between OS molecules and the catalytic *** findings validate that computationaided surface charge engineering is an effective and ingenious rational strategy for tailoring enzyme performance in OSs.

关键词： Surface charge engineering Organic solvent resistance Molecular dynamics simulation Haloalkane dehalogenase

Simple preparation of c(cS)/g-c_(3)N_(4)/co carbon aerogel and its catalytic performance for ammonium perchlorate

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Defence Technology（防务技术） 2024年第3期33卷 186-196页

作者： Yujie yan Bo Jin Rufang Peng State Key Laboratory of Environment-friendly Energy Materials School of Materials Science and EngineeringSouthwest University of Science and TechnologyMianyang621010China

Biomass chitosan(cS)was used as a template,graphitic phase carbon nitride(g-c_(3)N_(4))with high nitrogen content and certain catalytic activity was used as a dopant,and nano-transition metal cobalt(co)was used as a catalytic center *** carbon aerogel(c(cS)/g-c_(3)N_(4)/co)with a three-dimensional network-like structure was prepared by assembling the three materials through experimental operations such as freeze-drying and high-temperature *** was demonstrated by scanning and transmission characterization that the cS in the carbon aerogel could provide more active sites for the cobalt nanoparticles,and the doping of graphite-phase carbon nitride as a template dispersed the cobalt nanoparticles and changed the conductivity of the *** investigate the catalytic effect of carbon aerogel on ammonium perchlorate(AP),it was investigated by differential thermal analyzer and TG thermal *** carbon aerogel was very effective in catalyzing AP,and the 10 wt% content of the catalyst reduced the AP pyrolysis peak from 703.9 to 595.5 *** to further investigate the synergistic effect of the three materials,further carbon aerogels such as c(cS)/co,g-c_(3)N_(4)/co were prepared and applied to catalyze AP,and the same ratio reduced the AP pyrolysis peak by 98.1℃ and 97.7℃.This result indicates a synergistic effect of the assembly of the three materials.

关键词： g-c_(3)N_(4) chitosan co Ammonium perchlorate Pyrolysis kinetics

A deoxidation thermodynamic model for 304 stainless steel considering multiple-components coupled reactions

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Journal of Iron and Steel Research International 2024年第1期31卷 74-91页

作者： yan yan Guang-hao Shang Li-ping Zhang Shao-ying Li Han-jie Guo School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing100083China Beijing Key Laboratory of Special Melting and Preparation of High-End Metal Materials Beijing100083China Henan Jinhui Stainless Steel Industry Group co. Ltd.Xuchang461500HenanChina changge Jinhui Recycling Metal R&D co. Ltd.Xuchang461500HenanChina

A thermodynamic model for predicting the equilibrium oxygens of 304 stainless steel was developed based on the theory of slag-steel equilibrium,the law of mass conservation,and the ion and molecule coexistence *** the developed model,the Fe-cr-Mn-Si-Al-S-O-melts reaction system and caO-MgO-caF_(2)-FeO-MnO-Al_(2)O_(3)-SiO_(2)-cr2O_(3)slags were *** oxygen contents calculated by the model are in good agreement with experimental results and reference *** equilibrium oxygen contents in 304 stainless steel mainly decrease with increasing binary basicity(w(caO)/w(SiO_(2)),where w(i)is the mass percentage of component i)and decreasing *** binary basicity at 2.0 while maintaining temperatures lower than 1823 K will keep the oxygen contents in the 304 stainless steel lower than 15×10^(-6).The equilibrium oxygen contents may also be decreased with increasing content of MgO in slags,which is more significant at lower binary ***,a small amount of FeO,MnO,and Al_(2)O_(3)(about 0-2.5 wt.%)in slags has little effect on equilibrium oxygen ***,it is found that the[c]-[O]reaction may occur during refining process but will not significantly affect the equilibrium oxygen contents.

关键词： complex deoxidation Thermodynamic model Ion and molecule coexistence theory 304 stainless steel Slag-steel reaction

Superatom-assembled boranes,carboranes,and low-dimensional boron nanomaterials based on aromatic icosahedral B_(12)and c_(2)B_(10)

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Nano Research 2024年第7期17卷 6734-6740页

作者： Qiao-Qiao yan yan-Fang Wei Qiang chen Yue-Wen Mu Si-Dian Li Institute of Molecular Science Shanxi UniversityTaiyuan 030006China

Using the experimentally known aromatic icosahedral superatoms I_(h)B_(12)H_(12)2−and D_(5d)1,12-c_(2)B_(10)H_(12)as building blocks and based on extensive density functional theory calculations,we predict herein a series of core–shell superpolyhedral boranes and carboranes in a bottom-up approach,including the high-symmetry Th B_(12)@B_(152)H_(72)2−(2),c2h c_(2)B_(10)@B_(152)H_(72)(3),D_(3d)B_(12)@B_(144)H_(66)(4),I_(h)B_(12)@c_(24)B_(12)0H_(72)2−(6),and D_(5d)c_(2)B_(10)@c_(24)B_(12)0H_(72)(7).More interestingly,the superatom-assembled linear D2h B_(36)H_(32)^(2−)(8),close-packed planar D_(3d)B_(84)H_(60)^(2−)(10),and nearly close-packed core−shell D_(3d)B_(12)@B144H_(6)6(4)can be extended periodically to form the one-dimensional(1D)α-rhombohedral borane nanowire B_(12)H_(10)(Pmmm)(9),two-dimensional(2D)α-rhombohedral monolayer borophane B_(12)H_(6)(P m1)(11),and the experimentally known three-dimensional(3D)α-rhombohedral boron(R m)(12)which can be viewed as an assembly of the monolayer B_(12)H_(6)(11)staggered in vertical direction,setting up a bottom-up strategy to form low-dimensional boron-based nanomaterials from their borane“seeds”via partial or complete *** bonding analyses indicate that the high stability of these nanostructures originates from the spherical aromaticity of their icosahedral B_(12)or c_(2)B_(10)structural units which possess the universal skeleton electronic configuration of 1S21P61D101F8 following the Wade’s n+1 *** infrared(IR)and Raman spectra of the most-concerned neutral B_(12)@B144H_(6)6(4)and c_(2)B_(10)@c_(24)B_(12)0H_(72)(7)are computationally simulated to facilitate their experimental characterizations.

关键词： superatom-assembling bottom-up approach density functional theory superpolyhedral boranes superpolyhedral carboranes borophanes

chinese Medicine combined with Adjuvant chemotherapy for Improving Myelosuppression in colorectal cancer Patients:A Systematic Review and Network Meta-Analysis

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chinese Journal of Integrative Medicine 2024年第7期30卷 643-652页

作者： LI Rui ZHANG Tong yan Shao-hua yan Yun-zi DING Ya-cong WANG yan-song yanG Yu-fei Department of Oncology China Academy of Chinese Medical SciencesXiyuan HospitalBeijing100091China Department of Oncology Dongfang Hospital Beijing University of Chinese MedicineBeijing100078China Graduate School Beijing University of Chinese MedicineBeijing100029China

Objective To assess the effectiveness of chinese herbal medicine(cHM)combined with adjuvant chemotherapy on myelosuppression for colorectal cancer(cRc)patients using network meta-analysis(NMA).Methods Literature searches in both international(PubMed,Embase,Web of Science,and cochrane Library)and chinese(china Science and Technology Journal Database,Wanfang Data,china National Knowledge Infrastructure)databases for relevant randomized controlled trials(RcTs)were conducted from inception until October 10,*** included RcTs of patients who received cHM combined with chemotherapy,including FOLFOX,XELOX,FOLFIRI,and other relevant regimens in the cHM treatment *** outcomes included the incidence of myelosuppression,leukopenia,hemoglobin reduction,and *** reviewers independently screened the databases,extracted the data,and assessed the risk of bias and credibility of *** 5.4.1 software and STATA 14.0 were used to perform the *** A total of 31 RcTs were included,published from 2008 to 2021 in *** these,2,314 participants comparing the following 9 cHMs were identified:Shengbai Recipe(SBR),Bazhen Decoction(BZD),Jianpi Jiedu Recipe(JJR),Jianpi Recipe(JR),compound cantharis capsule(ccc),Zaofan Pill(ZFP),Guilu Erxian Gel(GL),Buzhong Tiaogan Decoction(BZ),and Qiamagu capsule(QM).The results of NMA found an indirect *** on the surface under the cumulative ranking curve(SUcRA),the ZFP+chemotherapy group had the lowest incidence of myelosuppression,with an odds ratio(OR)of 0.08[95%confidence interval(cI):0.01,0.76],whereas the GL+chemotherapy group had the lowest incidence of leukopenia,hemoglobin reduction,and thrombocytopenia,with an OR of 5.25(95%cI:2.41,11.43),4.66(95%cI:2.23,9.72),and 0.27(95%cI:0.13,0.54),***,BZD+chemotherapy could alleviate leukopenia,hemoglobin reduction,and thrombocytopenia(Pcomparison showed that there was no difference in the efficacy among the 8 cHMs+c

关键词： chinese herbal medicine colorectal cancer network meta-analysis systematic review myelosuppression chemotherapy

continuous Expression of Interferon Regulatory Factor 4 Sustains cD8^(+)T cell Immunity against Tumor

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Research 2024年第3期2023卷 433-444页

作者： Anze Yu Jinfei Fu Zheng Yin Hui yan Xiang Xiao Dawei Zou Xiaolong Zhang Xiongbing Zu Xian c.Li Wenhao chen Immunobiology and Transplant Science center Department of SurgeryHouston Methodist Research Institute and Institute for Academic MedicineHouston Methodist HospitalHoustonTXUSA Department of Urology First Affiliated HospitalSun Yat-sen UniversityGuangzhouGuangdongChina Systems Medicine and Bioengineering Department Houston Methodist Neal Cancer CenterHoustonTXUSA Department of Radiology Houston Methodist HospitalWeill Cornell MedicineHoustonTXUSA Department of Urology Xiangya HospitalCentral South UniversityChangshaHunanChina Department of Surgery Weill Cornell MedicineCornell UniversityNew YorkNYUSA.

T-cell-based immunotherapy is gaining momentum in cancer treatment;however,our comprehension of the transcriptional regulation governing T cell antitumor activity remains *** objective of this study was to explore the function of interferon regulatory factor 4(IRF4)in antitumor cD8^(+)T cells using the TRAMP-c1 prostate cancer and B16F10 melanoma *** achieve this,we generated an Irf4^(GFP-DTR) mouse strain and discovered that cD8^(+)tumor-infiltrating lymphocytes(TILs)expressing high levels of *** exhibited a more differentiated PD-1high cell *** administering diphtheria toxin to tumor-bearing Irf4^(GFP-DTR) mice,we partially depleted ***^(+)TILs and observed an accelerated tumor *** specifically explore the function of IRF4 in antitumor cD8^(+)T cells,we conducted 3 adoptive cell therapy(AcT)***,depleting ***^(+)cD8^(+)TILs derived from AcT significantly accelerated tumor growth,emphasizing their crucial role in controlling tumor ***,deleting the Irf4 gene in antitumor cD8^(+)T cells used for AcT led to a reduction in the frequency and effector differentiation of cD8^(+)TILs,completely abolishing the antitumor effects of ***,we performed a temporal deletion of the Irf4 gene in antitumor cD8^(+)T cells during AcT,starting from 20 days after tumor implantation,which significantly compromised tumor ***,sustained expression of IRF4 is essential for maintaining cD8^(+)T cell immunity in the melanoma model,and these findings carry noteworthy implications for the advancement of more potent immunotherapies for solid tumors.

关键词： sustained immunity implantation

Real-time model correction using Kalman filter for Raman-controlled cell culture processes

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chinese Journal of chemical Engineering 2024年第6期70卷 251-260页

作者： Xiaoxiao Dong Zhuohong He Xu yan Dong Gao Jingyu Jiao yan Sun Haibin Wang Haibin Qu Pharmaceutical Informatics Institute College of Pharmaceutical SciencesZhejiang UniversityHangzhou 310058China Hisun Biopharmaceutical co.Ltd. Hangzhou 311404China

Raman spectroscopy has found extensive use in monitoring and controlling cell culture *** this context,the prediction accuracy of Raman-based models is of paramount ***,models established with data from manually fed-batch cultures often exhibit poor performance in Raman-controlled ***,there is a need for effective methods to rectify these *** objective of this paper is to investigate the efficacy of Kalman filter(KF)algorithm in correcting Raman-based models during cell ***,partial least squares(PLS)models for different components were constructed using data from manually fed-batch cultures,and the predictive performance of these models was ***,various correction methods including the PLS-KF-KF method proposed in this study were employed to refine the PLS ***,a case study involving the auto-control of glucose concentration demonstrated the application of optimal model correction *** results indicated that the original PLS models exhibited differential performance between manually fed-batch cultures and Raman-controlled *** glucose,the root mean square error of prediction(RMSEP)of manually fed-batch culture and Raman-controlled culture was 0.23 and 0.40 g·L^(-1).With the implementation of model correction methods,there was a significant improvement in model performance within Raman-controlled *** RMSEP for glucose from updating-PLS,KF-PLS,and PLS-KF-KF was 0.38,0.36 and 0.17 g·L^(-1),***,the proposed PLS-KF-KF model correction method was found to be more effective and stable,playing a vital role in the automated nutrient feeding of cell cultures.

关键词： Raman spectroscopy Model correction Algorithm Model-predictive control Bioprocess

Homoclinic Solutions for a class of Perturbed Fractional Hamiltonian Systems with Subquadratic conditions

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Acta Mathematica Sinica,English Series 2024年第5期40卷 1177-1196页

作者： Ying LUO Fei GUO yan LIU School of Mathematics Tianjin UniversityTianjin 300354P.R.China Tianjin Key Laboratory of Brain-Inspired Intelligence Technology Tianjin300354P.R.China

In this paper,we consider the following perturbed fractional Hamiltonian systems{tD_(∞)^(α)(_(-∞)D_(t)^(α)u(t))+L(t)u(t)=■_(u)W(t,u(t))+■(u)G(t,u(t)),t∈R,u∈H^(α)(R,R^(N)),whereα∈(1/2,1],L∈c(R,R^(N×N))is symmetric and not necessarily required to be positive definite,W∈c1(R×R^(N,R))is locally subquadratic and locally even near the origin,and perturbed term G∈c1(R×R^(N,R))maybe has no parity in *** the perturbed method improved by the authors,a sequence of nontrivial homo clinic solutions is obtained,which generalizes previous results.

关键词： Perturbed fractional Hamiltonian systems subquadratic condition perturbed method homoclinic solutions multiplicity

Sobolev Mapping of the Bergman Projections on Generalized Hartogs Triangles

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Acta Mathematica Sinica,English Series 2024年第2期40卷 451-466页

作者： Hong yan LIU Zhen Han TU School of Mathematics and Statistics Wuhan UniversityWuhan 430072P.R.China

In this paper,we investigate Sobolev mapping properties of the Bergman *** domain we focus on is defined byΩm/n:={(z,w)∈c^(1+N):|w1|<|z|m1/n1<1,…|wN|<|z|/m_(N)/n_(N)<1},where m=(m1,…mN)∈(Z^(+))^(N),n=(n1,…nN)∈(... 详细信息

In this paper,we investigate Sobolev mapping properties of the Bergman *** domain we focus on is defined byΩm/n:={(z,w)∈c^(1+N):|w1|ctions on 2 is *** also prove some Sobolev regularity results of the Bergman projections onΩm/n for m=(1,…1).

关键词： Bergman projections generalized Hartogs triangles Sobolev spaces