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Accumulating studies have suggested the airway microbiota in lung cancer patients is significantly different from that of healthy controls. However, little is known about the relationship between airway microbiota and important clinical parameters of lung cancer. In this study, we aimed to explore the association between sputum microbiota and lung cancer stage, lymph node metastasis, intrathoracic metastasis, and epidermal growth factor receptor (EGFR) gene mutation.The microbiota of sputum samples from 85 newly-diagnosed NSCLC patients were sequenced via 16S rRNA sequencing of the V3-V4 region. Sequencing reads were filtered using QIIME2 and clustered against UPARSE.Alpha- and β-diversity was significantly different between patients in stages I to II (early stage, ES) and patients in stages III to IV (advanced stage, AS). Linear discriminant analysis Effect Size (LEfSe) identified that genera Granulicatella and Actinobacillus were significantly enriched in ES, and the genus Actinomyces was significantly enriched in AS. PICRUSt2 identified that the NAD salvage pathway was significantly enriched in AS, which was positively associated with Granulicatella. Patients with intrathoracic metastasis were associated with increased genus Peptostreptococcus and incomplete reductive TCA cycle, which was associated with increased Peptostreptococcus. Genera Parvimonas, Pseudomona and L-valine biosynthesis were positively associated with lymph node metastasis. L-valine biosynthesis was related with increased Pseudomona. Finally, the genus Parvimonas was significantly enriched in adenocarcinoma patients with EGFR mutation.The taxonomy structure differed between different lung cancer stages. The tumor stage, intrathoracic metastasis, lymph node metastasis, and EGFR mutation were associated with alteration of specific airway genera and metabolic function of sputum microbiota.

In this work, the mechanism of water oxidation catalyzed by a tricopper-containing polyoxometalate (POM) [(SbW9O33)2CuII3(H2O)3]12− ([POM-CuII2CuII OH2]12−), including (i) the deprotonation oxidation and (ii) O O bond formation steps, was theoretically investigated for the first time. Calculations suggest that the Cu center is redox-inert and remains bivalence throughout the catalytic reaction. This is significantly different from the Ru-, Co- and Mn-containing POM-based water oxidation catalysts in which the metal centers (Ru, Co, Mn) are sequentially oxidized and reduced during catalytic reaction. In deprotonation oxidation step, two hydrogen atoms are removed from one water ligand. Therefore, an unusual metal-oxyl-radical species [POM-CuII2CuII O ]12− is obtained, in which two unpaired electrons are assigned to the active O center. A monocopper-containing keggin POM [CuII(O )SbW11O39]5− ([POM-CuII O ]5−) was selected as the model to explore the O O bond formation mediated by [POM-CuII2CuII O ]12−. The O O bond formation was proposed to proceed via the single electron transfer-water nucleophilic attack (SET-WNA) mechanism. Two electrons from the incoming water molecule is step by step transferred to the oxyl-radical ligand of [POM-CuII O ]5−. Furthermore, the SET-WNA process is characterized by two-state reactivity and the observed spin inversions between two potential energy surfaces effectively reduce the activation barrier. Therefore, the present work would provide the promising information for further designing water oxidation catalysts (WOCs).

The design and synthesis of polynuclear metal cluster-based coordination cages is of considerable interest due to their appealing structural characteristics and potential applications. Herein, we report a calix[4]resorcinarene-based [Co12] coordination cage, [Co12(TPC4R-I)2(1,3-BDC)10(μ3-OH)4(H2O)10(DMF)2]·7DMF·23H2O (1), assembled with 2 bowl-shaped calix[4]resorcinarenes (TPC4R-I), 10 angular 1,3-benzenedicarboxylates (1,3-BDC), and 12 Co(II) cations. Remarkably, it is shown to be a highly efficient recyclable heterogeneous catalyst for CO2 conversion due to its exposed Co(II) Lewis acid sites.

The performance of MnII/III-monosubstituted heteropolytungstates [MnIII(H2O)GeW11O39]5– ([GT-MnIII-OH2]5–, where GT = GeW11O39) and [MnII(H2O)GeW11O39]6– ([GT-MnII-OH2]6–) as water oxidation catalysts at pH 9 was explored using density functional theory calculations. The counterion effect was fully considered, in which five and six Na+ ions were included in the calculations for water oxidation catalyzed by [GT-MnIII-OH2]5– and [GT-MnII-OH2]6–, respectively. The process of water oxidation catalysis was divided into three elemental stages: (i) oxidative activation, (ii) O–O bond formation, and (iii) O2 evolution. In the oxidative activation stage, two electrons and two protons are removed from [Na5-GT-MnIII-OH2] and three electrons and two protons are removed from [Na6-GT-MnII-OH2]. Therefore, the MnIV-O• species [Na5-GT-MnIV-O•] is obtained. Two mechanisms, (i) water nucleophilic attack and (ii) oxo–oxo coupling, were demonstrated to be competitive in O–O bond formation triggered from [Na5-GT-MnIV-O•]. In ...

In this work, the key O O bond formation step in water oxidation catalyzed by a polyoxometalate-based complex [Mn3(H2O)3(SbW9O33)2]12− was theoretically investigated. The MnV-oxo species rather than MnIV-oxo species, is computed to be responsible for O O bond formation via water nucleophilic attack mechanism. During O O bond formation based on MnV-oxo species, two-state reactivity is found and the energy profile switches from the 13et state to the 15et state through a minimum energy crossing point, which significantly reduces the activation barrier. The observed spin inversion phenomenon in O O bond formation is attributed to the exchange-enhanced reactivity for 15et state, but not for 13et state.

The activity of the biomimetic CoII-based cuboidal water oxidation catalyst (WOC) [CoII4(hmp)4(μ-OAc)2(μ2-OAc)2(H2O)] ([CoII4O4]) and its Ca2+-substitute [CoII3CaO4] were theoretically investigated to evaluate the effect of redox-inactive Ca2+ on water oxidation by CoII-based cuboidal catalyst. Compared with [CoII4O4], the smaller redox potential of [CoII3CaO4] results in the more efficient oxidation-equivalents accumulation for water oxidation. By contrast, the water oxidation by [CoII3CaO4] is identified to be more thermodynamically superior than that for [CoII4O4]. The energy barrier of key O O bond formation step in water oxidation by [CoII3CaO4] is 22.0 kcal/mol and lower than that found for [CoII4O4] (25.0 kcal/mol).

In this work, the mechanism of water oxidation catalyzed by an Ru-based complex [Ru(L)]+ (L = 5,5-chelated 2-carboxyl-phen, 2,2′;6′,2′′-terpyridine) was studied by density functional theory (DFT) calculations. In [Ru(L)]+, a carboxyl group is included in the second coordination sphere and plays an important role in the catalytic process. In the oxidation activation stage of water oxidation catalysis, the carboxyl group is proposed as a promising proton acceptor to promote proton transfer, which results in active RuVO species. Then, O–O bond formation can proceed via water nucleophilic attack (WNA) or oxo–oxo coupling mechanisms. In the O2 release stage, similar to the oxidation activation process, the carboxyl group promotes proton transfer as a promising proton acceptor. In the present work, the favorable mechanism is WNA that involves proton transfer to the carboxyl group. It is expected that this work will provide meaningful information for synthesizing excellent water oxidation catalysts (WOCs).

The design and synthesis of polynuclear metal cluster-based coordination cages is of considerable interest due to their appealing structural characteristics and potential applications. Herein, we report a calix[4]resorcinarene-based [Co

The performance of Mn

// Zhi-qiang Tian 1, 2, * , Xiao-fang Su 3, * , Zhi-yong Lin 4, * , Meng-chao Wu 1 , Li-xin Wei 1 , Jia He 4 1 Tumor Immunology and Gene Therapy Center, Eastern Hepatobiliary Surgery Hospital, The Second Military Medical University, Shanghai 200438, China 2 Department of General Surgery, Wuxi People’s Hospital Affiliated Nanjing Medical University, Wuxi, Jiangsu 214023, China 3 Department of Rehabilitation and Physiotherapy Medicine, Wuxi Taihu Hospital (101 Hospital of Chinese People’s Liberation Army), Wuxi, Jiangsu 214044, China 4 Department of Health Statistics, The Second Military Medical University, Shanghai 200433, China * These authors have contributed equally to this work Correspondence to: Li-xin Wei, email: weilixin_smmu@163.com Jia He, email: hejia63@yeah.net Keywords: colorectal liver metastases, laparoscopic liver resection, open liver resection, meta-analysis Received: August 08, 2016 Accepted: October 24, 2016 Published: November 02, 2016 ABSTRACT Background: To compare surgical and oncological outcomes of laparoscopic versus open liver resection for colorectal liver metastases. Results: A total of 14 retrospective studies with 1679 colorectal liver metastases patients were analyzed: 683 patients treated with laparoscopic liver resection and 996 patients with open liver resection. With respect to surgical outcomes, laparoscopic compared with open liver resection was associated with lower blood loss (MD, -216.7, 95% CI, -309.4 to -124.1; P < 0.00001), less requiring blood transfusion (OR, 0.36; 95% CI, 0.23 to 0.55; P < 0.00001), lower postoperative complication morbidity (OR, 0.61; 95% CI, 0.47 to 0.80; P = 0.003), and shorter hospitalization time (MD, -3.85, 95% CI, -5.00 to -2.71; P < 0.00001). However, operation time and postoperative mortality were no significant difference between the two approaches. With respect to oncological outcomes, laparoscopic liver resection group was prone to lower recurrence rate (OR, 0.78; 95% CI, 0.61−0.99; P = 0.04), but surgical margins R0, overall survival and disease-free survival were no significant difference. Materials and Methods: We performed a systematic search in MEDLINE, EMBASE, and CENTRAL for all relevant studies. All statistical analysis was performed using Review Manager version 5.3. Dichotomous data were calculated by odds ratio (OR) and continuous data were calculated by mean difference (MD) with 95% confidence intervals (CI). Conclusions: Laparoscopic and open liver resection for colorectal liver metastases have the same effect on oncological outcomes, but laparoscopic liver resection achieves better surgical outcomes.

// Hai-Sen Zhou 2, * , Xiao-Fang Su 3, * , Xing-Li Fu 4, * , Guo-Zhong Wu 5 , Kun-Lun Luo 5 , Zheng Fang 5 , Feng Yu 5 , Hong Liu 5 , Hong-Juan Hu 2 , Liu-Sheng Chen 2 , Bing Cai 1 , Zhi-Qiang Tian 1, 5 1 Department of General Surgery, Wuxi People’s Hospital, Nanjing Medical University, Wuxi 214023, P.R. China 2 Nanjing Lishui People’s Hospital, Nanjing 211200, P.R. China 3 Department of Rehabilitation Medicine, The 101st Hospital of Chinese PLA, Wuxi 214044, P.R. China 4 Health Science Center, Jiangsu University, Zhenjiang 212013, P.R. China 5 Department of General Surgery, The 101st Hospital of Chinese PLA, Wuxi 214044, P.R. China * These authors are contributed equally to this work Correspondence to: Zhi-Qiang Tian, email: zhiqiangtiann@163.com Bing Cai, email: caibing@wuxiph.com Keywords: mesenchymal stem cells, pancreatic adenocarcinoma, epithelial-mesenchymal transition, transforming growth factor-β1 Received: December 28, 2015 Accepted: April 25, 2016 Published: May 12, 2016 ABSTRACT Mesenchymal stem cells (MSCs) could be ideal delivery vehicles for antitumor biological agents in pancreatic adenocarcinoma (PA). While the role of MSCs in tumor growth is elusive. Inflammation is an important feature of PA. In this study, we reported that MSCs pre-stimulated with the combination of TNF-α and IFN-γ promote PA cells invasion. The invasion of PA cell lines were evaluate by wound healing assay and transwell assay in vitro and liver metastasis in nude mice. We observed MSCs pre-stimulated with the combination of TNF-α and IFN-γ promoted PA cells invasion in vitro and in vivo . Consistent with MSCs promoting PA cells invasion, PA cells were found undergo epithelial-mesenchymal transition (EMT). We demonstrated that MSCs pre-stimulated with both of TNF-α and IFN-γ provoked expression transforming growth factor-β1 (TGF-β1). MSCs promoting EMT-mediated PA cells invasion could be reversed by short interfering RNA of TGF-β1. Our results suggest that MSCs could promote PA cells invasion in inflammation microenvironment and should be cautious as delivery vehicles in molecular target therapy.

A complete mechanism for electrocatalytic reduction of CO2 to CO by nanographene − rhenium complex (Re(gpy-bpy)(CO)3Cl, gpy = nanographene connected with pyrazine; bpy = 2,2’-bipyridyl) was investigated by using density functional theory (DFT) calculations. The reaction free energies, reaction barrier heights, charge decomposition analysis (CDA), spin densities and mulliken populations provide deep insight into the reaction mechanism as well as the origin of selectivity for this catalyst. Protonation and then reduction of Re(gpy-bpy)(CO)3COOH (Re-COOH) precedes Bronsted-acid-catalyzed C − OH bond cleavage and then CO release at external applied potential. It is expected that the present work would provide valuable information for designing catalyst.

// De-jun Yang 1, * , Kun-lun Luo 3, * , Hong Liu 3, * , Bing Cai 2 , Guo-qing Tao 2 , Xiao-fang Su 3 , Xiao-juan Hou 4 , Fei Ye 4 , Xiang-yong Li 3 , Zhi-qiang Tian 2, 3, 4 1 Department of Gastrointestinal Surgery, The Changzheng Hospital, Second Military Medical University, Shanghai, 200003, China 2 Department of General Surgery, Wuxi People's Hospital Affiliated Nanjing Medical University, Wuxi 214023, China 3 Department of General Surgery and Rehabilitation Medicine and Oncology, The 101st Hospital of Chinese PLA, Wuxi 214044, China 4 Tumor Immunology and Gene Therapy Center, Eastern Hepatobiliary Surgery Hospital, The Second Military Medical University, Shanghai 200438, China * These authors contributed equally to this work Correspondence to: Zhi-qiang Tian, email: zhiqiangtiann@163.com Xiang-yong Li, email: xiangyongl@126.com Keywords: transcatheter arterial chemoembolization, radiofrequency ablation, hepatocellular carcinoma, meta-analysis Received: June 11, 2016 Accepted: November 30, 2016 Published: December 07, 2016 ABSTRACT This meta-analysis was conducted to compare transcatheter arterial chemoembolization (TACE) plus radiofrequency ablation (RFA) with TACE alone for hepatocellular carcinoma. We searched MEDLINE, EMBASE and CENTRAL for all relative randomized controlled trials (RCTs) and retrospective studies until October 31 2016. Tumor response, recurrence-free survival, overall survival and postoperative complications were the major evaluation indices. Review Manager (version 5.3) was used to analyze the data. Dichotomous data was calculated by odds ratio (OR) with 95% confidence intervals (CI). There were 1 RCT and 10 retrospective studies with 928 patients in this meta-analysis: 412 patients with TACE plus RFA and 516 patients with TACE alone. Compared with TACE alone group, TACE plus RFA group attained higher tumor response rates (OR = 6.08, 95% CI = 4.00 to 9.26, P < 0.00001), achieved longer recurrence-free survival rates (OR RFS = 3.78, 95% CI: 2.38 to 6.02, P < 0.00001) and overall survival rates (OR 1-year = 3.92, 95% CI = 2.41–6.39, P < 0.00001; OR 3-year = 2.56; 95% CI = 1.81–3.60; P < 0.00001; OR 5-year = 2.78; 95% CI = 1.77–4.38; P < 0.0001). Serious postoperative complications were not observed, although complications were higher in TACE plus RFA group than that in TACE alone group (OR = 2.74, 95% CI = 1.07 to 7.07, P = 0.04). In conclusion, the use of TACE plus RFA for intermediate stage hepatocellular carcinoma can attain higher tumor response rates and improve survival rates than TACE alone.

The geometrical and electronic structures of [M6O[Formula: see text]][Formula: see text] (M [Formula: see text] Mo, W, [Formula: see text]; M [Formula: see text] V, Nb, Ta, [Formula: see text]) and their derivatives were investigated by using density functional theory methods. The results indicate that the geometrical structure of [V6O[Formula: see text]][Formula: see text] is not different from other Lindqvist-type anions. The energy gap between highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) (HOMO[Formula: see text]LUMO energy gap) of [V6O[Formula: see text]][Formula: see text] is smaller than those of same charge anions, [Nb6O[Formula: see text]][Formula: see text] and [Ta6O[Formula: see text]][Formula: see text]. In addition, the charge density [Formula: see text] of [V6O[Formula: see text]][Formula: see text] is larger when compared with those of other studied clusters. The investigation on the derivatives shows that the valence of V atom (V[Formula: see text] or V[Formula: see text]) and the methoxy ligand influence the HOMO[Formula: see text]LUMO energy gap and the charge density [Formula: see text] of the studied clusters.

To analyze strategies of operative management (OM) and non-operative management (NOM), mortality, and morbidity of hepatic trauma patients.We retrospectively reviewed 296 consecutive patients with hepatic trauma at the Department of Hepatobiliary Surgery, 101st Hospital of PLA, Wuxi, Jiangsu, China a single level one trauma center between January 2003 and December 2012. Data on demographics, mechanism of trauma, American Association for the Surgery of Trauma grade, initial management, and outcome were collected for this study.A total of 101 (34%) patients were of low-grade, while 195 (66%) were of high-grade. Hepatic trauma with associated injury of other organs was noted in 205 (69.3%) patients. The initial management was OM for 119 (40.2%) and NOM for 177 (59.8%), 12 patients later required laparotomy. Surgical intervention included perihepatic packing in 6, liver parenchyma suturing in 29, liver parenchyma suturing and hemostasis in 50, segmental resection in 19, and right hepatectomy in 2. The overall mortality rate was 9.1%, and the mortality rate of 8.4% was due to hepatic injuries.All hemodynamically stable patients can be managed by NOM with excellent results, while high-grade hepatic injuries require OM due to hemodynamic instability, or concomitant injuries.

The liver is the second most commonly injured organ following blunt abdominal trauma. The stable patient with minimal physical findings with a history of blunt abdominal trauma presents a challenge for diagnosis of liver injury. This study was conducted to determine the usefulness of hepatic transaminases in predicting the presence of liver injury and its severity following blunt abdominal trauma. In this retrospective study, we included all patients who had sustained blunt abdominal injury and were treated at our institution between January 2008 and December 2010. The grading of the liver injury was verified using CT scans or surgical findings. One hundred and eighty-two patients with blunt abdominal trauma underwent the required blood tests and were included in the study. Using receiver operating characteristic (ROC) curve assessment, optimum alanine aminotransferase (ALT), aspartate aminotransferase (AST), lactate dehydrogenase (LDH) and γ-glutamyl transpeptidase (GGT) thresholds were determined to be >57 U/l, 113 U/l, 595 U/l and 50 U/l. ALT >57 U/l (OR, 66.1; P113 U/l (OR, 30.6; P595 U/l (OR, 3.8; P50 U/l (OR, 3.0; P57 U/l and AST >113 U/l are strongly associated with liver injury and require further imaging studies and close management.