41 results about "Systemic reaction" patented technology

The present invention provides a method for identifying an operational reaction pathway of a biosystem. The method includes (a) providing a set of systemic reaction pathways through a reaction network representing said biosystem; (b) providing a set of phenomenological reaction pathways of said biosystem, and (c) comparing said set of systemic reaction pathways with said set of phenomenological reaction pathways, wherein a pathway common to said sets is an perational reaction pathway of said biosystem. Also described is a method of refining a biosystem reaction network; a method of reconciling biosystem data sets; a method of determining the effect of a genetic polymorphism on whole cell function; and a method of diagnosing a genetic polymorphism-mediated pathology.

The present invention is solid tumor treating medicine composition and belongs to the field of medicine technology. The medicine composition contains melphalan in effective anticancer amount and medicinal supplementary material. The medicinal supplementary material is mainly biocompatible, degradable and absorbable polymer, and during the degradation and absorption of the polymer, melphalan is released slowly to local tumor part to lower the systemic toxic reaction and to maintain local medicine concentration. The present invention has enhanced treating effect. The solid tumor includes cerebral tumor, liver cancer, lung cancer, esophagus cancer, gastric cancer, etc.

Disease detection and characterization using computational analysis of Raman spectra is used to detect disease-specific multi-molecular patterns “spectral fingerprint” associated with specific diseases, cellular physiologic derangements, or altered metabolism from systemic reactions to disease. Comparison of the Raman spectral fingerprint of urine from subjects with specific diseases and those not (healthy persons) provides the means to identify key disease-associated changes in urine molecular composition. Methods include applying baseline correction to spectra of a desired wavenumber range e.g., with the Goldindec algorithm, or with ISREA and StaBAL; vector or specific band normalization; and one or more of principal component analysis (PCA); discriminant analysis of principal components (DAPC); principal least squares (PLS) regression, machine learning with neural networks (NN); identification of wavenumber loadings; calculation of total canonical distance (TCD); total spectral distance (TSD), total principal component distance (TPD); ANOVA; pairwise comparisons; and performing leave-one-out or multi-fold cross-validation analysis of chemometric models (DAPC, PLS, NN) to report predictive capabilities in terms of accuracy, sensitivity (true-positives), and specificity (true-negatives), positive predictive value (PPV) and negative predictive value (NPV).

The anticancer medicine composition containing tyrosine kinase inhibitor is slow released injection and slow released implant. The effective anticancer components include tyrosine kinase inhibitor selected from Erbitux, Iressa, Tarceva, Sunitinib, Trastuzumab, etc, and / or composition selected from Docetaxel, deacetyl taxol, taxol, etc. The slow releasing supplementary material is selected from p(LAEG-EOP), p(DAPG-EOP), etc. The released injection and slow released implant may be injected or set in tumor for slow releasing to maintain effective medicine concentration for over 50 days, and has obviously lowered systemic reaction on the medicine and capacity of enhancing the chemotherapeutic and radiotherapeutic effect.

The present invention provides a method for identifying an operational reaction pathway of a biosystem. The method includes (a) providing a set of systemic reaction pathways through a reaction network representing said biosystem; (b) providing a set of phenomenological reaction pathways of said biosystem, and (c) comparing said set of systemic reaction pathways with said set of phenomenological reaction pathways, wherein a pathway common to said sets is an operational reaction pathway of said biosystem. Also described is a method of refining a biosystem reaction network; a method of reconciling biosystem data sets; a method of determining the effect of a genetic polymorphism on whole cell function; and a method of diagnosing a genetic polymorphism-mediated pathology.

The invention relates to a temperature-controlled sustained-release injection containing an alkylating agent and a preparation method thereof, the temperature-controlled sustained-release injection comprises effective anti-cancer amount of the alkylating agent, an amphiphilic block copolymer, a solvent and a certain amount of drug release regulator, wherein, the mixture of the amphiphilic block copolymer and a solvent without organic solvent has the temperature-sensitive gelatinization feature, which is flowable liquid in the environment that is lower than the body temperature and can be automatically converted to the water-insoluble gel that can not flow and be biodegradable for absorption in an endotherm, and the water-insoluble gel can allow the contained angiogenesis inhibitor to have the local sustained release in a tumor and maintain the effective drug concentration for a plurality of weeks to a plurality of months. The sustained-release gel injection can be injected in the tumor or the tumor periphery or be arranged in the postoperative tumor cavity, thus significantly reducing the systemic reaction of the drug and being used for the treatment of the tumors in different stages. The alkylating agent is selected from cyclophosphamide, melphalan, leukeran, 4H-cyclophosphamide peroxide, norcantharidin, mannosulfan, treosulfan, ritrosulfan, ethoglucid, pipobroman, piposulfan, pumitepa, uredepa, azatepa and so on.

The invention relates to a temperature-controlled sustained-release injection containing an anti-cancer drug, which consists of the anti-cancer drug and an amphiphilic block copolymer hydrogel and has the temperature-sensitive gelatinization feature, the temperature-controlled sustained-release injection is flowable liquid in the environment that is lower than the body temperature and can be automatically converted to the water-insoluble gel that can not flow and be biodegradable for absorption in an endotherm, thus allowing the drug to have the local sustained release in a tumor and maintain the effective drug concentration for a plurality of weeks to a plurality of months; the temperature-controlled sustained-release injection can be injected in the tumor or the tumor periphery or be arranged in the postoperative tumor cavity, thus significantly reducing the systemic reaction of the drug, strengthening the treatment effects of chemotherapy, radiotherapy and other non-surgical therapies, and being used for the treatment of the tumors in different stages. The anti-cancer drug can be vincristine, vinorelbine, navelbine, vindesine, vinleurosine, vinrosidine, cephalotaxine, bleomycin, daunomycin, aclarubicin, epirubicin, idarubicin, pirarubicin, valrubicin, mitomycin C, actinomycin D, losoxantrone, mitoxantrone, mitozolomide, temozolomide and so on.

This invention relates to the field of gene engineering and medicament, specifically relates to the application of RTN 4B in preparing wound healing drugs. Healing of wound is a very complicated process. Wound not only changes part of organism, but also initiate systemic reaction to different extent, meanwhile, wound part will bring pain to patients. The inventive RTN 4B can promote angiogenesis, enhance adhesion and migration of blood vessel cell; and can be used for preparing medicament for promoting healing of wound to shorten period of treatment and relieve pain.

Disclosed herein is a serum-based adjuvanted vaccine which is substantially free of non-host albumin and the use thereof in reducing or preventing post-vaccination systemic reactions.

The invention provides a sustained-release injection containing nitrosourea drug (galamustine), which contains sustained-release microspheres and solvents. The sustained-release microspheres each comprise an anticancer-active component selected from nitrosourea drugs (such as nimustine and carmustine) and / or topoisomerase inhibitors, and a sustained-release agent. The solvents are common solvents or special solvents containing suspending agent. The viscosity of the suspending agent ranges from 100cp to 3000cp (at a temperature ranging from 20 DEG C to 30 DEG C). The suspending agent is selected from sodium carboxymethylcellulose and the like. The sustained-release agent is selected from p(LAEG-EOP) or p(DAPG-EOP) or other polyphosphate ester copolymers, or copolymer or blend of polyphosphate ester and PLA, polifeprosan, PLGA or poly(erucidic acid dipolymer-sebacic acid). The topoisomerase inhibitor is selected from camptothecin, hydroxycamptothecine, topotecan, lartotecan, irinotecan, etoposide or teniposide. The anticancer composition is also available in the dosage form of sustained-release implant, can retain the effective drug concentration for more than 60 days after intratumoral or local injection or implantation, can obviously reduce the systemic reaction to the drug, and can selectively enhance the curative effect of non-operative treatments such as radiotherapy and chemotherapy.

The invention relates to a temperature-controlled sustained-release injection containing a hormone anti-cancer drug, which comprises the anti-cancer drug, an amphiphilic block copolymer, a solvent and a certain amount of drug release regulator, wherein, the mixture of the amphiphilic block copolymer and a solvent without organic solvent has the temperature-sensitive gelatinization feature, which is flowable liquid in the environment that is lower than the body temperature and can be automatically converted to the water-insoluble gel that can not flow and be biodegradable for absorption in an endotherm, and the water-insoluble gel can allow the contained hormone anti-cancer drug to have the local sustained release in a tumor and maintain the effective drug concentration for a plurality of weeks to a plurality of months; the viscosity of the temperature-controlled sustained-release injection is 10cp to 3000cp ( at 5 DEG C to 30 DEG C ), and the gelatinization temperature is 35 DEG C to 37 DEG C. The sustained-release injection can be injected in the tumor or the tumor periphery or be arranged in the postoperative tumor cavity, thus significantly reducing the systemic reaction of the drug, selectively strengthening the treatment effects of chemotherapy, radiotherapy and other non-surgical therapies, and being used for the treatment of the tumors in different stages. The anti-cancer drug can be triptorelin, goserelin, leuprorelin, anastrozole, idoxifene, tamoxifen and other hormone anti-cancer drugs.

The present invention is related to the branch of medicine, particularly to the new formulations of vaccine antigens.The technical objective pursued with the present invention is, precisely, the development of formulations that are able to enhance the immune response to mucosally administered antigens, minimising the number of compounds in the formulation and generating strong mucosal and systemic responses through a synergic interaction between the antigens in the formulation.These formulations enable: a) to broaden the spectrum of the anti-hepatitis B immune response, containing as main compounds HBsAg and HBcAg, b) to enhance the response against HBsAg with a viral nucleocapsid c) to generate combined vaccines through the mucosal route with HBsAg as a central antigen. Stabilizers and preservatives can be introduced.The formulations of this invention can be applied in the pharmaceutical industry as human or veterinary vaccine formulations.

Disclosed is an anticancer, which contains antimetabolics fluorouracil and the synergist thereof, and is a sustained-release injection. The anti-cancer combination is composed of sustained-release microspheres and solvent; wherein, the sustained-release microsphere contains effective anticancer ingredients and auxiliary material; the solvent is common solvent or special solvent which contains suspending agent. The viscosity of the suspending agent is 100cp-3000cp (20 DEG C-30 DEG C) and is selected from carboxymethyl cellulose; the antimetabolics is selected from methotrexate, fluorouracil, carmofur, tegafur, decitabine, capecitabine or gemcitabine; the synergist is tetrazine medicine or anticancer antibiotics; the auxiliary material is selected from p(LAEG-EOP), p(DAPG-EOP), or polyphosphate copolymer, or copolymer or mixture of polyphosphate, polylactic acid, polifeprosan, sebacic acid and PLGA; the anticancer combination also can be made into sustained-release implants which can be injected or implanted in tumor or the periphery of tumor with the effective medicine concentration maintained for more than 50 days; meanwhile, the systemic reaction of the medicine is obviously reduced; the treatment effects of the non-operative treatments such as chemotherapy or radiation treatment are selectively enhanced.

The slow released anticancer injection containing tyrosine kinase inhibitor and / or taxane consists of slow released microsphere and solvent. The slow released microsphere includes effective anticancer components of tyrosine kinase inhibitor and / or taxane and slow releasing supplementary material, and the solvent is common solvent or special solvent containing suspending agent. The suspending agent is carboxymethyl cellulose, etc. and has viscosity of 100-3000 cp at 20-30 deg.c. The slow releasing supplementary material is selected from p(LAEG-EOP), p(DAPG-EOP), p(BHET-EOP / TC), etc. The anticancer composition may be also prepared into slow released implant, and the released injection and slow released implant may be injected or set in tumor for slow releasing to maintain effective medicine concentration for over 40 days, and has obviously lowered systemic reaction on the medicine and capacity of enhancing the chemotherapeutic and radiotherapeutic effect.

The invention provides a traditional Chinese medicine composition for treating atherosclerosis. According to the invention, mulberry, sophora japonica, lotus stamen, dodder seed, aconite root, black sesame, altai anemone rhizome, intermediate peashrub flower, caulis spatholobi, trogopterus dung, ageratum, achyranthes and donkey-hide gelatin are used in the raw material medicine as monarch and adjuvant drugs for preventing and treating atherosclerosis, complex pulse and depletion, reinforcing liver and kidney, nourishing blood and brain, dispelling cold and relieving pain; auxiliary choerospondias fruit, ginseng flower, lily, gingko leaf, flos albiziae, radix linderae leaf, desertliving cistanche, longan pulp, salvia miltiorrhiza, curcuma root, fresh pears, oranges, lemons and royal jelly are used as auxiliary drugs to enhance effects of the monarch-and-adjuvant drugs, so as to tranquilize mind by nourishing the heart, replenish body vitality, restore physical strength and improve immunity; and combination of the drugs has better effects in preventing and treating symptoms of patients with atherosclerosis, reducing or inhibiting systemic reactions, protecting functions of various organ systems, nourishing the five internal organs and reinforcing yin and the essence.

An anticancer composition comprising bortezomib and an alkylating agent thereof is in form of a sustained-released injection and comprises sustained-released microspheres and a solvent. The sustained-released microspheres comprise an anticancer effective ingredient and a sustained-released adjuvant, and the solvent is a common solvent or a special solvent containing a suspending agent. The suspending agent has a viscosity of 100-3,000cp (20-30 DEG C) and is selected from sodium carboxymethyl cellulose, etc.; the anticancer effective ingredient is bortezomib and an alkylating agent selected from melphalan, iphosphamide, 4-hydro-peroxy-cyclophosphamide and norcantharidin; and the sustained-released adjuvant is a copolymer selected from poly(lactic acid), PLGA, p(LAEG-EOP), p(DAPG-EOP), polifeprosan, poly(erucic acid dimmer-sebacic acid), difatty acid-sebacic acid copolymer, poly(fumaric acid-sebacic acid), etc. or a mixture thereof. The anticancer composition can also be made into a sustained-released implant, which can sustain effective drug concentration for more than 60 days by intratumoral or peritumoral injection or placement, and can distinctly reduce the systemic reaction of the drug and selectively enhance the curative effect of non-operative treatments such as chemotherapy and radiotherapy.

The invention discloses application of a traditional Chinese medicine composition in preparation of a medicine for relieving side effects of oxaliplatin chemotherapy. The traditional Chinese medicine composition composed of radix paeoniae alba and liquorice is used for relieving various side reactions caused by oxaliplatin, wherein the side reactions comprise peripheral neurotoxicity, hematological toxicity and systemic reaction. The traditional Chinese medicine composition plays a role in relieving peripheral neurotoxicity caused by oxaliplatin through multiple ways, on one hand, neuroinflammatory response in dorsal root ganglions is inhibited, the dorsal root ganglions are responsible for receiving and conducting sensory nerve impulse, the injury is mainly represented as sensory disorders such as numbness of hands and feet, stabbing pain and delayed feeling, and on the other hand, the neuroinflammatory response in the dorsal root ganglions is inhibited; therefore, OIPN can be relieved by inhibiting the inflammatory reaction; on the other hand, the blood flow of microvessels is promoted, and the circulation disorder of the microvessels at the tail ends of the limbs is improved to relieve OIPN. Moreover, the traditional Chinese medicine composition does not influence the anti-tumor effect of oxaliplatin, is good in safety, and does not damage important organs such as heart, liver, spleen, lung and kidney.

Disclosed is an anticancer combination which contains antimetabolics and the synergist thereof, and is a sustained-release injection. The anti-cancer combination is composed of sustained-release microspheres and solvent; wherein, the sustained-release microsphere contains effective anticancer ingredients and auxiliary material; the solvent is common solvent or special solvent which contains suspending agent. The viscosity of the suspending agent is 100cp-3000cp (20 DEG C-30 DEG C) and is selected from carboxymethyl cellulose; the antimetabolics is selected from methotrexate, fluorouracil, carmofur, tegafur, decitabine, capecitabine or gemcitabine; the synergist is tetrazine medicine or anticancer antibiotics; the auxiliary material is selected from p(LAEG-EOP), p(DAPG-EOP), or polyphosphate copolymer, or copolymer or mixture of polyphosphate, polylactic acid, polifeprosan, sebacic acid and PLGA; the anticancer combination also can be made into sustained-release implants which can be injected or implanted in tumor or the periphery of tumor with the effective medicine concentration maintained for more than 50 days; meanwhile, the systemic reaction of the medicine is obviously reduced; the treatment effects of the non-operative treatments such as chemotherapy or radiation treatment are selectively enhanced.

The anticancer composition includes effective anticancer component selected from tyrosine kinase inhibitor and / or lomustine and slow releasing supplementary material, and may be prepared into slow released injection and slow released implant. The slow released injection includes also suspending agent and special solvent. The suspending agent has viscosity at 20-30 deg.c of 100-3000 cp and is selected from sodium carboxymethyl cellulose, etc. The slow releasing supplementary material is selected from p(LAEG-EOP), p(DAPG-EOP), p(BHET-EOP / TC), p(BHET-EOP / TC), p(BHDPT-EOP / TC), p(BHDPT-EOP / TC), p(CHDM-HOP), p(CHDM-EOP), etc. The released injection and slow released implant may be injected or set in tumor for slow releasing to maintain high medicine concentration for over 60 days to raise the treating effect and lower the systemic reaction on the medicine.

The anticancer composition includes effective anticancer component selected from tyrosine kinase inhibitor and / or carmustine and slow releasing supplementary material, and may be prepared into slow released injection and slow released implant. The slow released injection includes also suspending agent and special solvent. The suspending agent has viscosity at 20-30 deg.c of 100-3000 cp and is selected from sodium carboxymethyl cellulose, etc. The slow releasing supplementary material is selected from p(LAEG-EOP), p(DAPG-EOP), p(BHET-EOP / TC), p(BHET-EOP / TC), p(BHDPT-EOP / TC), p( BHDPT-EOP / TC), p(CHDM-HOP), p(CHDM-EOP), etc. The released injection and slow released implant may be injected or set in tumor for slow releasing to maintain high medicine concentration for over 60 days to raise the treating effect and lower the systemic reaction on the medicine.

The invention discloses a temperature control and sustained release injection containing anti-metabolism medicine, which comprises anticancer effective dose anti-metabolism medicine, amphiphilic block copolymer and certain amount of medicine releasing regulation agent; wherein, the amphiphilic block copolymer comprises polyethylene glycol and polyester; the mixture of the amphiphilic block copolymer and the solvent without organic solvent has the gelation property of the temperature sensitive, is the fluidity liquid in the environment below the body temperature, and can be automatically changed into the non-fluidity and biodegradation absorption water insoluble gel in the body of warm-blooded animal; the non-fluidity and biodegradation absorption water insoluble gel can release the anti-metabolism medicine slowly in the part of the tumor and maintain the effective medicine concentration of the effective medicine for a plurality of weeks or a plurality of months; the viscosity of the temperature control and sustained release injection is 10 cp to 3000 cp (5 DEG C to 30 DEG C), the temperature is 35 DEG C to 37 DEG C. The invention has the advantages of capability of injection inside or around the tumor or put inside the tumor cavity after the operation, obvious reduction of the systemic reaction of the medicine, and selective improvement of the therapeutic effect of the chemotherapy, the radiotherapy and other non-operation treatment method, and capability of curing the tumor in different stages.

A method for preparing a radioactive in-situ vaccine includes the following steps: First, prepare calcium carbonate microsphere powder with calcium chloride and sodium carbonate solutions, then prepare mesoporous hydroxyapatite with a phosphate solution and the calcium carbonate microsphere powder, and then add a manganese salt to obtain manganese-doped hydroxyapatite microspheres; then label with a radionuclide to obtain radionuclide-labeled manganese-doped hydroxyapatite microspheres. The radionuclide therapy adopted in the present invention can well confine the rays to the tumor site, and can avoid systemic reactions while continuously irradiating the tumor; the selected manganese adjuvant, as an essential trace element for the human body, is safer, cheaper and easier to obtain. On the other hand, the manganese doped in the microspheres themselves can activate the immune system after release, and in addition, the special mesoporous structure of the microspheres can achieve efficient capture of tumor antigens, maintain a high concentration of antigen in the tumor site, continuously activate the immune system, produce an anti-tumor effect, and achieve universal tumor treatment.

An anti-cancer compound containing the PTK enzyme inhibitor (TKi) or the hormones medicine is a slow releasing injection, which consists of a slow-releasing micro sphere and a dissolvent. The slow-releasing micro sphere is selected from the effective component and the slow-releasing adjuvant of the TKi or the hormones medicine. The dissolvent comprises a common dissolvent and a special dissolvent containing the suspending agent. The viscosity of the dissolvent is 100cp-3000cp when the temperature is 20 DEG C to 30 DEG C. The dissolvent is selected from the sodium carboxymethycellulose. The adjuvant is selected from p(LAEG-EOP), p(DAPG-EOP), p(BHET-EOP / TC), p( BHET-EOP / TC), p(BHDPT-EOP / TC), p(BHDPT-EOP / TC), p(CHDM-HOP) or p(CHDM-EOP), which belong to the polyphosphoric acid ester copolymer or the copolymer of the polylactic acid, the Policeperson, the double fatty acid and the decanedioic acid, or the copolymer and the mixture of the poly-(druidic acid dimer-decanedioic acid) and the poly-(fumaric acid-decanedioic acid). The anti-cancer compound is also produced as a slow-releasing implantation preparation. The effective drug concentration can be maintained for over 40 days when the medicine is injected or arranged in the tumor or around the tumor. The medicine can greatly reduce the systemic reaction of the drug and selectively enhance the therapy effect of the non-surgical treatment such as the chemical therapy.

The invention provides an application of an Akt pathway activator in treatment of cartilage injury and systemic reaction caused by joint hemorrhage. Knee joint hemorrhage modeling is carried out on mice and pigs; it is found that the Akt pathway activator sc79 and vitamin E have remarkable curative effects in treatment of cartilage injury, systemic reaction, liver injury and peripheral blood inflammation caused by joint bleeding, and a new target and a new treatment means are provided for prevention and treatment of joint bleeding.

This invention relates to the field of gene engineering and medicament, specifically relates to the application of RTN 4B in preparing wound healing drugs. Healing of wound is a very complicated process. Wound not only changes part of organism, but also initiate systemic reaction to different extent, meanwhile, wound part will bring pain to patients. The inventive RTN 4B can promote angiogenesis,enhance adhesion and migration of blood vessel cell; and can be used for preparing medicament for promoting healing of wound to shorten period of treatment and relieve pain.

An immunogenic or vaccine composition comprising an immunoadjuvant compound consisting of a Rho GTPase activator. The Activators of Rho GTPases, namely the cytotoxic necrotizing factor 1 (CNF1), and DNT bear immunostimulatory properties towards the systemic response to orally administered ovalbumine.

The slow released compound anticancer injection consists of slow released microsphere and solvent. The slow released microsphere includes effective anticancer component and slow releasing supplementary material, and the solvent is special solvent containing suspending agent. The effective anticancer component is bendamustine and cell toxicant medicine, and the cell toxicant medicine is selected from taxane, alkaylating agent, topomerase inhibitor, etc. The slow releasing supplementary material is polylactic acid and its copolymer, polyethylene glycol-polylactic acid copolymer, EVAc, etc. The .suspending agent is carboxymethyl cellulose sodium, etc. and has viscosity of 100-3000 cp at 20-30 deg.c. The slow released microsphere may be also prepared into slow released implanting agent. The present invention has lowered systemic reaction and raised local concentration for 30-50 days, and may be used alone effectively and in enhancing the curative effect of chemotherapy, radiotherapy and other non-operative treatment.

The slow released anticancer injection containing tyrosine kinase inhibitor and / or platinum compound consists of slow released microsphere and solvent. The slow released microsphere includes effective anticancer components of tyrosine kinase inhibitor and / or platinum compound and slow releasing supplementary material, and the solvent is common solvent or special solvent containing suspending agent. The suspending agent is carboxymethyl cellulose, etc. and has viscosity of 100-3000 cp at 20-30 deg.c. The slow releasing supplementary material is selected from p(LAEG-EOP), p(DAPG-EOP), p(BHET-EOP / TC), etc. The anticancer composition may be also prepared into slow released implant, and the released injection and slow released implant may be injected or set in tumor for slow releasing to maintain effective medicine concentration for over 50 days, and has obviously lowered systemic reaction on the medicine and capacity of enhancing the chemotherapeutic and radiotherapeutic effect.

Disease detection and characterization using computational analysis of Raman spectra is used to detect disease-specific multi-molecular patterns “spectral fingerprint” associated with specific diseases, cellular physiologic derangements, or altered metabolism from systemic reactions to disease. Comparison of the Raman spectral fingerprint of urine from subjects with specific diseases and those not (healthy persons) provides the means to identify key disease-associated changes in urine molecular composition. Methods include applying baseline correction to spectra of a desired wavenumber range e.g., with the Goldindec algorithm, or with ISREA and StaBAL; vector or specific band normalization; and one or more of principal component analysis (PCA); discriminant analysis of principal components (DAPC); principal least squares (PLS) regression, machine learning with neural networks (NN); identification of wavenumber loadings; calculation of total canonical distance (TCD); total spectral distance (TSD), total principal component distance (TPD); ANOVA; pairwise comparisons; and performing leave-one-out or multi-fold cross-validation analysis of chemometric models (DAPC, PLS, NN) to report predictive capabilities in terms of accuracy, sensitivity (true-positives), and specificity (true-negatives), positive predictive value (PPV) and negative predictive value (NPV).