A novel role of computers in the natural products field

We describe several computer programs developed in our laboratory as aids in the determination of unknown molecular structures. These programs include CONGEN [1], for determination of all plausible structural candidates; REACT [2, 3], for simulation of sequences of chemical reactions; and STRUCC, for evaluating candidates and planning new experiments. We stress the importance of symbiosis between chemist and computer, the combination building on their respective strengths to increase the speed and accuracy of structural assignments.     

A2O缺氧池添加天然碳源玉米芯的脱氮特征

基于低碳源污水易硝化难反硝化的问题,构建了在A²O缺氧池添加天然碳源玉米芯的中试系统,采用物料衡算、反硝化速率测定和微生物群落分析等方法,研究了该系统的脱氮效能和反硝化体系特征.结果表明,TN去除率提升13%,出水从16.2降至10.0mg/L;同时不会造成出水氨氮和色度超标的风险.物料衡算表明,COD碳源的氧化消耗量和出水排放量降低,更多的碳源用于反硝化和污泥增殖,从而提升了氮素的去除量,其中反硝化的提升贡献更大.缺氧池形成了悬浮污泥加生物膜的复合型脱氮体系:在污水自身碳源存在时,生物膜和悬浮污泥的反硝化速率分别为24.89和32.42mg/(L∙h),可实现快速脱氮;当自身碳源消耗殆尽,二者的反硝化速率分别是4.71和1.73mg/(L×h),单位生物量反硝化速率分别是1.58和59.1mg NO₃^--N/(g VSS×h),表明玉米芯主要被生物膜利用以维持反硝化进行.该体系的主要反硝化菌属为Azospira,此外在生物膜表面还富集了能够附着生长的Iamia和Haliangium,以及能够降解玉米芯木质素的Sulfuritalea等反硝化菌属.     

Utilization of plant-based natural coagulants as future alternatives towards sustainable water clarification

Rapid industrial developments coupled with surging population growth have complicated issues dealing with water scarcity as the quest for clean and sanitized water intensifies globally. Existing flesh water supplies could be contaminated with organic, inorganic and biological matters that have potential harm to the society. Turbidity in general is a measure of water cloudiness induced by such colloidal and suspended matters and is also one of the major criteria in raw water monitoring to meet the stipulated water quality guidelines. Turbidity reduction is often accomplished using chemical coagulants such as alum. The use of alum is widely associated with potential development of health issues and generation of voluminous sludge. Natural coagulants that are available in abundance can certainly be considered in addressing the drawbacks associated with the use of chemical coagulants. Twenty one types of plant-based natural coagulants categorized as fruit waste and others are identified and presented collectively with their research summary in this review. The barriers and prospects of commercialization of natural coagulants in near future are also discussed.     

Carbon estimation in harvested wood products using a country-specific method: Portugal as a case study

This study aims to contribute to the ongoing international debate on the choice of approaches and methods to be used for estimating the amount of carbon that has accumulated in harvested wood products (HWP), within the context of national greenhouse gas emission inventories. A method for estimating carbon accumulation in HWP was developed and applied to three accounting approaches currently under discussion, namely: the stock-change approach, the production approach and the atmospheric-flow approach. This method is consistent with tier 3 methods suggested by the Intergovernmental Panel on Climate Change.An estimation of the carbon accumulation in HWP in Portugal for the period 1990–2000 varied between 112 and 1016 Gg C year⁻¹. The atmospheric-flow approach provided the most favourable results for the whole period, largely because Portugal acted as a net exporter of carbon. The production approach ranked second, because the HWP exported were mainly produced from domestically grown wood. The uncertainty level of the estimates was in general lower than the uncertainty level expected when using a method based on generic default data. In conclusion, a simple method such as the one developed in this study may be used to estimate carbon accumulation in HWP with acceptable uncertainty levels, provided that country-specific data are available.     

Carbon dynamics in wood products

The carbon (C) reservoir of wood products in Finnishconstruction and civil engineering was estimated by three inventoriesincluding the years 1980, 1990 and 1995. The inventory method ismainly based on the statistics of Finnish building stock. The use of differentconstruction materials in different parts of buildings is estimated for eachbuilding type. Information collected through building permits includes thematerials of bearing frames and facades. More information about the useof wood products in construction is gathered by many enquiries. The mixof construction materials has changed during each decade. Furthermore, thetimber stocks in construction not subject to permission and in civilengineering (e.g. bridges) were estimated. The C reservoir is calculated onthe basis of dry matter content of wooden construction materials. The timeparameters of a simple exponential decay model and a more detailed Cbalance model of wood products were calibrated to the inventory resultsusing the estimated wood flows to construction as model inputs.According to the inventories the C pool in sawn wood and wood-basedpanels of the Finnish building stock was 8.7 Tg C in 1980, 10.7 Tg C in1990 and 11.5 Tg C in 1995. The mean annual increases, 0.20 Tg Cfrom 1980 to 1990 and 0.15 Tg C from 1990 to 1995, areapproximately 1.3% and 0.8% of the fossil fuel C emissions in Finlandduring the same periods. When also taking into account construction notsubject to permission and civil engineering works, the estimated C stock ofwood products in Finland was 16.5 Tg C in 1995, which is about 3.3 MgC per capita and approximately 2.4% of the C reservoir in Finnish forestbiomass. The total C reservoir of wood products (excluding wood wasteand paper products) coming from Finnish forests might be as much as 7%of the standing biomass if exported wood products are also included. Theaverage lifetime of sawn wood in Finnish construction is less than 40 years.     

Eco-friendly dyeing of wool using natural dye from weld as co-partner with synthetic dye

Since the last decade, the application of natural dyes on textile materials is gaining popularity all over the world, possibly because of increasing awareness of environment, ecology, and pollution control. In this research, extraction of dyes from weld using soxhlet apparatus has been studied. The color components extracted and isolated from weld plant were characterized by Column Chromatography, Thin Layer Chromatography (TLC), NMR, mass, IR techniques. The natural dye extract obtained from the weld was used for the dyeing of wool fiber. The results indicated that the exhaustion rate for the extracted dye increases by 49% compared to the raw dye. This, in turn, leads to a considerable decrease in the amount of the extracted dye used to reach the same desired results. Finally, for comparative studies between synthetic and this natural dye, all dyed specimens were tested for wash and light fastness properties, making weld a viable alternative to synthetic acid dyes.     

基于Sentinel-5P卫星的中国NO2浓度遥感监测

NO₂是重要的痕量气体,对其监测有助于大气污染治理。本文基于Sentinel-5P大气污染监测卫星提供的对流层NO₂浓度数据和总NO₂浓度数据,借助谷歌地球引擎(google earth engine,GEE)分析了2018~2021年间中国大气NO₂浓度时空变化特征,使用OLS模型揭示了中国地区NO₂浓度的主要影响因子。结果表明:我国对流层NO₂浓度空间分布呈现东高西低的总体格局,东中部城市群对流层NO₂柱浓度水平明显呈现冬高夏低、春秋过渡的季节特征,西部大部分城市的四季变化不明显。北京、深圳、上海3所城市NO₂柱浓度分布呈现出较为显著的圈层结构。OLS模型结果表明,中国地区NO₂浓度变化受到社会经济和自然因素的共同影响,其中城市化程度是影响NO₂排放的重要因子。     

Selecting safer building products in practice

In recent years the green building movement has focused increased attention on chemical hazards in building products and the need to select safer alternatives. This paper describes a number of tools available to architects and other building professionals and explores the product evaluation process behind one resource, BuildingGreen’s GreenSpec directory, as a window into the imperfect reality of alternatives assessment in the building design field.     

中石化广西液化天然气项目海洋自然灾害风险评估

中石化广西液化天然气（LNG）项目是广西沿海地区引进的国家重点清洁能源工程,其抵御海洋自然灾害的能力直接影响广西地区的经济发展速度。本研究结合LNG项目海岸防御工程的设计标准及现状,进行风暴潮、海浪自然灾害的设计标准及设计参数的风险分析,将推算得到的防御工程应达到的理论顶高程与实测高程进行对比,评估各段抵御海洋自然灾害的能力。研究发现无论是设计高潮位还是考虑海平面上升之后的极端高潮位均大于工程设计值;东南偏南（SSE）向波高的评估结果均大于设计值,其他方向波高的评估值与设计值差别不大;东南、西南段海岸防御工程的实测最低高程要低于评估高程,其他段具有一定的防御海洋自然灾害能力。     

Enhanced cyanogen chloride formation after UV/PS and UV/H2O2 pre-oxidation and chlorination in natural river water

Ultraviolet/persulfate (UV/PS) and Ultraviolet/hydrogen peroxide (UV/H₂O₂) have attracted much attention in recent years as advanced oxidation processes for water treatment. However, it is not all clear how these two methods affect the formation of cyanogen chloride (CNCl) in the subsequent water chlorination process. In this study, it was found that both UV/H₂O₂ and UV/PS pre-oxidation promoted the formation of CNCl in six actual water samples collected from urban rivers. Glycine, uric acid, arginine and histidine were investigated as the model compounds to explore the effects of different methods on the production of CNCl. The results showed that compared with chlorination alone, pre-oxidation by UV/H₂O₂ and UV/PS can reduce the production of CNCl for glycine and uric acid by up to 95% during post-chlorination process. However, they can greatly promote the formation of CNCl for arginine and histidine by up to 120-fold. In a more detailed investigation, pre-oxidation of histidine formed highly reactive intermediates to chlorine, leading to increased CNCl formation and chlorine consumption. The results showed that the precursors of CNCl was altered after pre-oxidation, and need to be re-evaluated.